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

C21H27N5OS — CID 175651238

IUPACN,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCC(C)c1cccc2sc(N3CCCC(N(C)C(=O)c4cnn(C)c4)C3)nc12
InChIInChI=1S/C21H27N5OS/c1-14(2)17-8-5-9-18-19(17)23-21(28-18)26-10-6-7-16(13-26)25(4)20(27)15-11-22-24(3)12-15/h5,8-9,11-12,14,16H,6-7,10,13H2,1-4H3
InChIKeyUDAJRRBMINRJHL-UHFFFAOYSA-N
MW397.55 g/mol
LogP3.89
Rot. Bonds4

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

N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 175651238) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID175651238
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC NameN,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCC(C)c1cccc2sc(N3CCCC(N(C)C(=O)c4cnn(C)c4)C3)nc12
InChIInChI=1S/C21H27N5OS/c1-14(2)17-8-5-9-18-19(17)23-21(28-18)26-10-6-7-16(13-26)25(4)20(27)15-11-22-24(3)12-15/h5,8-9,11-12,14,16H,6-7,10,13H2,1-4H3
InChIKeyUDAJRRBMINRJHL-UHFFFAOYSA-N
XLogP3.89
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651052
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649076
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175650104
N,1-dimethyl-N-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 175650638
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649067
1-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 82191887
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989
N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 172904226
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650748
tert-butyl N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 71647039
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175648252

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide (CID 175651238) is N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide is CC(C)c1cccc2sc(N3CCCC(N(C)C(=O)c4cnn(C)c4)C3)nc12.
What is the InChIKey of N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is UDAJRRBMINRJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-14(2)17-8-5-9-18-19(17)23-21(28-18)26-10-6-7-16(13-26)25(4)20(27)15-11-22-24(3)12-15/h5,8-9,11-12,14,16H,6-7,10,13H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[1-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 3.89, 4 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-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175651238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).