2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C12H13N5O2S2 — CID 135747745

IUPAC2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1nncs1
InChIInChI=1S/C12H13N5O2S2/c18-9(15-12-17-13-6-21-12)5-20-11-14-8-4-2-1-3-7(8)10(19)16-11/h6H,1-5H2,(H,14,16,19)(H,15,17,18)
InChIKeyLPQFFEWOYWGQEV-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.23
Rot. Bonds4

About 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 135747745) has the molecular formula C12H13N5O2S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID135747745
Molecular FormulaC12H13N5O2S2
Molecular Weight323.40 g/mol
Exact Mass323.05
IUPAC Name2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1nncs1
InChIInChI=1S/C12H13N5O2S2/c18-9(15-12-17-13-6-21-12)5-20-11-14-8-4-2-1-3-7(8)10(19)16-11/h6H,1-5H2,(H,14,16,19)(H,15,17,18)
InChIKeyLPQFFEWOYWGQEV-UHFFFAOYSA-N
XLogP1.23
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135402302
N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135680917
N-(4-chlorophenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135773906
N-(3,5-dimethylphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135595016
N-(2-cyanophenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135747742
N-(2-chlorophenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135693229
3-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 172994488
2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 135594975
N-(2-ethylphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135522125
methyl 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135530957
N-(4-ethoxyphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135546859
N-cyclohexyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135773967

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 135747745) is 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1nncs1.
What is the InChIKey of 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LPQFFEWOYWGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S2/c18-9(15-12-17-13-6-21-12)5-20-11-14-8-4-2-1-3-7(8)10(19)16-11/h6H,1-5H2,(H,14,16,19)(H,15,17,18).
What are the key properties of 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 135747745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).