N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide

C24H31FN8OS — CID 142483486

IUPACN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3sc(N(C)C4CCCCC4)nc3cc2F)n1
InChIInChI=1S/C24H31FN8OS/c1-14(2)33(27)22(31-26)18-10-7-11-21(28-18)30-23(34)16-12-20-19(13-17(16)25)29-24(35-20)32(3)15-8-5-4-6-9-15/h7,10-15H,4-6,8-9,26-27H2,1-3H3,(H,28,30,34)/b31-22-
InChIKeyQUJCVKMWYZBIKC-VAMRJTSQSA-N
MW498.63 g/mol
LogP4.06
Rot. Bonds6

About N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide (PubChem CID 142483486) has the molecular formula C24H31FN8OS and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide
PubChem CID142483486
Molecular FormulaC24H31FN8OS
Molecular Weight498.63 g/mol
Exact Mass498.23
IUPAC NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3sc(N(C)C4CCCCC4)nc3cc2F)n1
InChIInChI=1S/C24H31FN8OS/c1-14(2)33(27)22(31-26)18-10-7-11-21(28-18)30-23(34)16-12-20-19(13-17(16)25)29-24(35-20)32(3)15-8-5-4-6-9-15/h7,10-15H,4-6,8-9,26-27H2,1-3H3,(H,28,30,34)/b31-22-
InChIKeyQUJCVKMWYZBIKC-VAMRJTSQSA-N
XLogP4.06
TPSA125.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-cyclopropyl-5-fluoro-1,3-benzothiazole-6-carboxamide
CID 142483454
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483929
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopropylmethylsulfanyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483768
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-6-fluoro-2-(3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxamide
CID 142483574
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
CID 153359437
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483588
N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide
CID 144829927
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-fluoro-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 142483785
N-[6-[(Z)-C-aminocarbonohydrazonoyl]-2-pyridinyl]-5-[(Z)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-2-fluoro-4-methylbenzamide
CID 153359338
tert-butyl 7-[[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 142483788
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 155148594
5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane
CID 172597122

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide (CID 142483486) is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide is CC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3sc(N(C)C4CCCCC4)nc3cc2F)n1.
What is the InChIKey of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide?
The InChIKey is QUJCVKMWYZBIKC-VAMRJTSQSA-N. The full InChI is InChI=1S/C24H31FN8OS/c1-14(2)33(27)22(31-26)18-10-7-11-21(28-18)30-23(34)16-12-20-19(13-17(16)25)29-24(35-20)32(3)15-8-5-4-6-9-15/h7,10-15H,4-6,8-9,26-27H2,1-3H3,(H,28,30,34)/b31-22-.
What are the key properties of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide?
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 142483486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).