N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H17N5OS — CID 91831110

IUPACN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1cc2ncccn2n1
InChIInChI=1S/C16H17N5OS/c1-20(10-15-18-11-5-2-3-6-13(11)23-15)16(22)12-9-14-17-7-4-8-21(14)19-12/h4,7-9H,2-3,5-6,10H2,1H3
InChIKeyYAUMCBOAKIABSB-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.34
Rot. Bonds3

About N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91831110) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91831110
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1cc2ncccn2n1
InChIInChI=1S/C16H17N5OS/c1-20(10-15-18-11-5-2-3-6-13(11)23-15)16(22)12-9-14-17-7-4-8-21(14)19-12/h4,7-9H,2-3,5-6,10H2,1H3
InChIKeyYAUMCBOAKIABSB-UHFFFAOYSA-N
XLogP2.34
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71739469
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748062
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748065
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748080
(3,5-Dimethyl-4-(pyrimidin-2-ylthio)-1H-pyrazol-1-yl)(1-ethyl-3-methyl-1H-pyrazol-5-yl)methanone
CID 2745245
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748045
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-isopropyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748064
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-isopropyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748085
7-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 89586162
Piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135300257
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(methoxymethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 71748060
(6-Methylpyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748061

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91831110) is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc2ncccn2n1.
What is the InChIKey of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YAUMCBOAKIABSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-20(10-15-18-11-5-2-3-6-13(11)23-15)16(22)12-9-14-17-7-4-8-21(14)19-12/h4,7-9H,2-3,5-6,10H2,1H3.
What are the key properties of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91831110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).