N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide

C17H24N4OS — CID 129334416

IUPACN,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C17H24N4OS/c1-10-15(11(2)21(5)19-10)17(22)20(4)9-13-7-6-8-14-16(13)18-12(3)23-14/h13H,6-9H2,1-5H3/t13-/m0/s1
InChIKeyNPXYIKSMQDMKLT-ZDUSSCGKSA-N
MW332.47 g/mol
LogP2.99
Rot. Bonds3

About N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide

N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 129334416) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID129334416
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C17H24N4OS/c1-10-15(11(2)21(5)19-10)17(22)20(4)9-13-7-6-8-14-16(13)18-12(3)23-14/h13H,6-9H2,1-5H3/t13-/m0/s1
InChIKeyNPXYIKSMQDMKLT-ZDUSSCGKSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

3-cyclopentyl-5-[(2-methoxy-4-methyl-1,3-thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28871914
(4-Methyl-1,3-thiazol-5-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72044218
5-[(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26142162
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone
CID 139009498
N-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 50949916
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 56753522
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 72137719
4-Cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66856835
N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 5200179
2,4-dimethyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-5-carboxamide
CID 32302399
2,4-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-5-carboxamide
CID 32302404
2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide
CID 47027923

Frequently Asked Questions

What is the IUPAC name of N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide (CID 129334416) is N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide is Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NPXYIKSMQDMKLT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10-15(11(2)21(5)19-10)17(22)20(4)9-13-7-6-8-14-16(13)18-12(3)23-14/h13H,6-9H2,1-5H3/t13-/m0/s1.
What are the key properties of N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide?
N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129334416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).