(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H21N5OS — CID 136753641

IUPAC(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCSc1nc2n(n1)[C@@H](C(C)C)C(C(=O)Nc1ccccc1)=C(C)N2
InChIInChI=1S/C17H21N5OS/c1-10(2)14-13(15(23)19-12-8-6-5-7-9-12)11(3)18-16-20-17(24-4)21-22(14)16/h5-10,14H,1-4H3,(H,19,23)(H,18,20,21)/t14-/m0/s1
InChIKeyRQIPKIYNBOLGMT-AWEZNQCLSA-N
MW343.46 g/mol
LogP3.54
Rot. Bonds4

About (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136753641) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136753641
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCSc1nc2n(n1)[C@@H](C(C)C)C(C(=O)Nc1ccccc1)=C(C)N2
InChIInChI=1S/C17H21N5OS/c1-10(2)14-13(15(23)19-12-8-6-5-7-9-12)11(3)18-16-20-17(24-4)21-22(14)16/h5-10,14H,1-4H3,(H,19,23)(H,18,20,21)/t14-/m0/s1
InChIKeyRQIPKIYNBOLGMT-AWEZNQCLSA-N
XLogP3.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7R)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136880289
(7R)-7-(2-fluorophenyl)-5-methyl-2-methylsulfanyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136880284
(7S)-7-(4-bromophenyl)-5-methyl-2-methylsulfanyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136727457
(7R)-N-(4-chlorophenyl)-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761825
5-methyl-2-methylsulfanyl-N-phenyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135773767
7-(2,3-dimethoxyphenyl)-5-methyl-2-methylsulfanyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135652135
(7R)-7-(1,3-benzodioxol-5-yl)-5-methyl-2-methylsulfanyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135894840
(7R)-2-benzylsulfanyl-5-methyl-7-(4-methylsulfanylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761675
(7S)-N-(2-methoxyphenyl)-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761828
(7S)-7-(4-bromophenyl)-N-(4-chlorophenyl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136824352
7-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135633778
2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610760

Frequently Asked Questions

What is the IUPAC name of (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 136753641) is (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CSc1nc2n(n1)[C@@H](C(C)C)C(C(=O)Nc1ccccc1)=C(C)N2.
What is the InChIKey of (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RQIPKIYNBOLGMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-10(2)14-13(15(23)19-12-8-6-5-7-9-12)11(3)18-16-20-17(24-4)21-22(14)16/h5-10,14H,1-4H3,(H,19,23)(H,18,20,21)/t14-/m0/s1.
What are the key properties of (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-methyl-2-methylsulfanyl-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136753641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).