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

C16H14N6OS — CID 34249854

IUPACN-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)c3nc4ccccc4s3)nc2n1
InChIInChI=1S/C16H14N6OS/c1-9-8-10(2)22-15(17-9)19-13(20-22)14(23)21(3)16-18-11-6-4-5-7-12(11)24-16/h4-8H,1-3H3
InChIKeyHWQFHEOHWRGNMM-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.63
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 34249854) 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,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID34249854
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)c3nc4ccccc4s3)nc2n1
InChIInChI=1S/C16H14N6OS/c1-9-8-10(2)22-15(17-9)19-13(20-22)14(23)21(3)16-18-11-6-4-5-7-12(11)24-16/h4-8H,1-3H3
InChIKeyHWQFHEOHWRGNMM-UHFFFAOYSA-N
XLogP2.63
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 34250429
N-(1,3-benzothiazol-2-yl)-N-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18193252
N-(1,3-benzothiazol-2-yl)-7-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2472979
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47163756
5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26212452
N-benzyl-5,7-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31484552
N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32917838
[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 31188652
(3-chloro-1-benzothiophen-2-yl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 34168107
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 134015230

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 34249854) is N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)c3nc4ccccc4s3)nc2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HWQFHEOHWRGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-9-8-10(2)22-15(17-9)19-13(20-22)14(23)21(3)16-18-11-6-4-5-7-12(11)24-16/h4-8H,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.63, 2 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,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 34249854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).