4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide

C18H20N6O2S — CID 165415054

IUPAC4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccc2s1
InChIInChI=1S/C18H20N6O2S/c1-22(2)18-21-13-9-11(5-6-14(13)27-18)20-16(25)15-12(10-19-23(15)3)17(26)24-7-4-8-24/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,25)
InChIKeyKYCDVMCWNGRTAD-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.19
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415054) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415054
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccc2s1
InChIInChI=1S/C18H20N6O2S/c1-22(2)18-21-13-9-11(5-6-14(13)27-18)20-16(25)15-12(10-19-23(15)3)17(26)24-7-4-8-24/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,25)
InChIKeyKYCDVMCWNGRTAD-UHFFFAOYSA-N
XLogP2.19
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165414909
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(morpholin-4-yl)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide
CID 165368500
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]pyrazole-5-carboxamide
CID 165415088
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165415252
4-(azetidine-1-carbonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 71288649
N-(benzo[d]thiazol-2-yl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081195
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049158
2-[4-[4-(1,3-Benzothiazol-2-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049192
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049194
2-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049473
N-(1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 4592878
N-(4-fluorobenzo[d]thiazol-2-yl)-1,3-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 16953202

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide (CID 165415054) is 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide is CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccc2s1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is KYCDVMCWNGRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-22(2)18-21-13-9-11(5-6-14(13)27-18)20-16(25)15-12(10-19-23(15)3)17(26)24-7-4-8-24/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,25).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).