7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one

C13H13ClN4OS — CID 168582587

IUPAC7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
SMILESCN1C(=O)NCc2ccc(NCc3cnc(Cl)s3)cc21
InChIInChI=1S/C13H13ClN4OS/c1-18-11-4-9(3-2-8(11)5-17-13(18)19)15-6-10-7-16-12(14)20-10/h2-4,7,15H,5-6H2,1H3,(H,17,19)
InChIKeyWRTXZXZEZXOKRJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.07
Rot. Bonds3

About 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one

7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one (PubChem CID 168582587) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
PubChem CID168582587
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one
SMILESCN1C(=O)NCc2ccc(NCc3cnc(Cl)s3)cc21
InChIInChI=1S/C13H13ClN4OS/c1-18-11-4-9(3-2-8(11)5-17-13(18)19)15-6-10-7-16-12(14)20-10/h2-4,7,15H,5-6H2,1H3,(H,17,19)
InChIKeyWRTXZXZEZXOKRJ-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
CID 168583424
2-tert-butyl-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]isoindole-1,3-dione
CID 168581821
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168580850
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylbenzotriazol-5-amine
CID 168584143
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 168583344
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylaniline
CID 168582949
1-[4-[2-chloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazin-1-yl]butan-1-one
CID 168583526
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
CID 168583307

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one (CID 168582587) is 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one is CN1C(=O)NCc2ccc(NCc3cnc(Cl)s3)cc21.
What is the InChIKey of 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one?
The InChIKey is WRTXZXZEZXOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-18-11-4-9(3-2-8(11)5-17-13(18)19)15-6-10-7-16-12(14)20-10/h2-4,7,15H,5-6H2,1H3,(H,17,19).
What are the key properties of 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one?
7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one has a molecular weight of 308.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-methyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 168582587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).