N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H14N6OS — CID 18193252

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1
InChIInChI=1S/C16H14N6OS/c1-3-21(16-18-11-6-4-5-7-12(11)24-16)14(23)13-19-15-17-9-8-10(2)22(15)20-13/h4-9H,3H2,1-2H3
InChIKeyLMFBTEIIIPCKPH-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.71
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 18193252) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID18193252
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1
InChIInChI=1S/C16H14N6OS/c1-3-21(16-18-11-6-4-5-7-12(11)24-16)14(23)13-19-15-17-9-8-10(2)22(15)20-13/h4-9H,3H2,1-2H3
InChIKeyLMFBTEIIIPCKPH-UHFFFAOYSA-N
XLogP2.71
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-7-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2472979
N-butyl-7-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476813
N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34249854
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 18193231
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16563517
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 18193252) is N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCN(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LMFBTEIIIPCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-3-21(16-18-11-6-4-5-7-12(11)24-16)14(23)13-19-15-17-9-8-10(2)22(15)20-13/h4-9H,3H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 18193252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).