(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

C10H7ClN4OS — CID 94191280

IUPAC(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2csnn2)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H7ClN4OS/c11-5-1-2-6-7(3-5)12-9(13-10(6)16)8-4-17-15-14-8/h1-4,9,12H,(H,13,16)/t9-/m0/s1
InChIKeyJAPYNQSMYCLINK-VIFPVBQESA-N
MW266.71 g/mol
LogP2.05
Rot. Bonds1

About (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 94191280) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID94191280
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@@H](c2csnn2)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H7ClN4OS/c11-5-1-2-6-7(3-5)12-9(13-10(6)16)8-4-17-15-14-8/h1-4,9,12H,(H,13,16)/t9-/m0/s1
InChIKeyJAPYNQSMYCLINK-VIFPVBQESA-N
XLogP2.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 94191280) is (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@@H](c2csnn2)Nc2cc(Cl)ccc21.
What is the InChIKey of (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is JAPYNQSMYCLINK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H7ClN4OS/c11-5-1-2-6-7(3-5)12-9(13-10(6)16)8-4-17-15-14-8/h1-4,9,12H,(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
(2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 266.71 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-chloro-2-(thiadiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 94191280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).