2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide

C21H24N6OS — CID 155749866

IUPAC2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC1=NN/C(=N\C=CNC(C)c2cccc(NC(=O)c3cnc(C4CC4)s3)c2)C1
InChIInChI=1S/C21H24N6OS/c1-13-10-19(27-26-13)23-9-8-22-14(2)16-4-3-5-17(11-16)25-20(28)18-12-24-21(29-18)15-6-7-15/h3-5,8-9,11-12,14-15,22H,6-7,10H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyJKIRGLVMGZKCSD-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.16
Rot. Bonds7

About 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 155749866) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID155749866
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC1=NN/C(=N\C=CNC(C)c2cccc(NC(=O)c3cnc(C4CC4)s3)c2)C1
InChIInChI=1S/C21H24N6OS/c1-13-10-19(27-26-13)23-9-8-22-14(2)16-4-3-5-17(11-16)25-20(28)18-12-24-21(29-18)15-6-7-15/h3-5,8-9,11-12,14-15,22H,6-7,10H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyJKIRGLVMGZKCSD-UHFFFAOYSA-N
XLogP4.16
TPSA90.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane
CID 155750477
2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75378409
N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891318
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891281
2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 115731158
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 86891552
N'-[1-[3-[[cyclopropylidene-(6-cyclopropyl-3-pyridinyl)methyl]amino]phenyl]ethyl]-N-(4-methyl-3H-pyrrol-2-yl)ethene-1,2-diamine
CID 155749772
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
N-[3-[1-[2-(1-anilinobut-3-en-2-ylideneamino)ethenylamino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155749853
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide (CID 155749866) is 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide is CC1=NN/C(=N\C=CNC(C)c2cccc(NC(=O)c3cnc(C4CC4)s3)c2)C1.
What is the InChIKey of 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JKIRGLVMGZKCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-13-10-19(27-26-13)23-9-8-22-14(2)16-4-3-5-17(11-16)25-20(28)18-12-24-21(29-18)15-6-7-15/h3-5,8-9,11-12,14-15,22H,6-7,10H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[1-[2-[(3-methyl-1,4-dihydropyrazol-5-ylidene)amino]ethenylamino]ethyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155749866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).