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

C14H15N3OS — CID 95740668

IUPACN-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cccs1
InChIInChI=1S/C14H15N3OS/c1-9-15-8-10-11(16-9)4-2-5-12(10)17-14(18)13-6-3-7-19-13/h3,6-8,12H,2,4-5H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyZPYORMYIBMNLTG-LBPRGKRZSA-N
MW273.36 g/mol
LogP2.65
Rot. Bonds2

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

N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide (PubChem CID 95740668) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
PubChem CID95740668
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
SMILESCc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cccs1
InChIInChI=1S/C14H15N3OS/c1-9-15-8-10-11(16-9)4-2-5-12(10)17-14(18)13-6-3-7-19-13/h3,6-8,12H,2,4-5H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyZPYORMYIBMNLTG-LBPRGKRZSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
CID 110237742
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-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)quinoline-3-carboxamide
CID 71689676
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
3-cyclopropyl-1-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-5-carboxamide
CID 71689682
(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693
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

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide (CID 95740668) is N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide is Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cccs1.
What is the InChIKey of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide?
The InChIKey is ZPYORMYIBMNLTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-15-8-10-11(16-9)4-2-5-12(10)17-14(18)13-6-3-7-19-13/h3,6-8,12H,2,4-5H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide?
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95740668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).