4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide

C13H15N5OS — CID 95740697

IUPAC4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)c1snnc1C
InChIInChI=1S/C13H15N5OS/c1-7-12(20-18-17-7)13(19)16-11-5-3-4-10-9(11)6-14-8(2)15-10/h6,11H,3-5H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyXPRNDADOQCNCJM-NSHDSACASA-N
MW289.36 g/mol
LogP1.75
Rot. Bonds2

About 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide

4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide (PubChem CID 95740697) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
PubChem CID95740697
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)c1snnc1C
InChIInChI=1S/C13H15N5OS/c1-7-12(20-18-17-7)13(19)16-11-5-3-4-10-9(11)6-14-8(2)15-10/h6,11H,3-5H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyXPRNDADOQCNCJM-NSHDSACASA-N
XLogP1.75
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
CID 71689676
1-ethyl-3-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-4-carboxamide
CID 95384990
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(tetrazol-1-yl)benzamide
CID 95740937
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71689668
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689758
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
CID 42245579

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide (CID 95740697) is 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide is Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide?
The InChIKey is XPRNDADOQCNCJM-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N5OS/c1-7-12(20-18-17-7)13(19)16-11-5-3-4-10-9(11)6-14-8(2)15-10/h6,11H,3-5H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide?
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95740697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).