N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

C19H23N5OS — CID 172903419

IUPACN,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1ccc2nc(N3CCC(N(C)C(=O)c4ccn(C)n4)CC3)sc2c1
InChIInChI=1S/C19H23N5OS/c1-13-4-5-15-17(12-13)26-19(20-15)24-10-6-14(7-11-24)23(3)18(25)16-8-9-22(2)21-16/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3
InChIKeyJRYQSTHODVJAIB-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.08
Rot. Bonds3

About N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172903419) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172903419
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1ccc2nc(N3CCC(N(C)C(=O)c4ccn(C)n4)CC3)sc2c1
InChIInChI=1S/C19H23N5OS/c1-13-4-5-15-17(12-13)26-19(20-15)24-10-6-14(7-11-24)23(3)18(25)16-8-9-22(2)21-16/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3
InChIKeyJRYQSTHODVJAIB-UHFFFAOYSA-N
XLogP3.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328840
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882011
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172903728
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903276
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691603
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651052
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172903419) is N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1ccc2nc(N3CCC(N(C)C(=O)c4ccn(C)n4)CC3)sc2c1.
What is the InChIKey of N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is JRYQSTHODVJAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-4-5-15-17(12-13)26-19(20-15)24-10-6-14(7-11-24)23(3)18(25)16-8-9-22(2)21-16/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172903419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).