2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine

C13H11ClN4S — CID 55080452

IUPAC2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
SMILESCc1ncc(CNc2nc(Cl)nc3ccccc23)s1
InChIInChI=1S/C13H11ClN4S/c1-8-15-6-9(19-8)7-16-12-10-4-2-3-5-11(10)17-13(14)18-12/h2-6H,7H2,1H3,(H,16,17,18)
InChIKeyYYMBTERCJPUGCX-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine

2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine (PubChem CID 55080452) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
PubChem CID55080452
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
SMILESCc1ncc(CNc2nc(Cl)nc3ccccc23)s1
InChIInChI=1S/C13H11ClN4S/c1-8-15-6-9(19-8)7-16-12-10-4-2-3-5-11(10)17-13(14)18-12/h2-6H,7H2,1H3,(H,16,17,18)
InChIKeyYYMBTERCJPUGCX-UHFFFAOYSA-N
XLogP3.66
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79632909
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]quinoline-4-carbonitrile
CID 63885433
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
CID 54868733
2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine
CID 12929075
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2H-isoquinolin-1-one
CID 61281429
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
2-chloro-N-[(4-phenoxyphenyl)methyl]quinazolin-4-amine
CID 87480931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine (CID 55080452) is 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine is Cc1ncc(CNc2nc(Cl)nc3ccccc23)s1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine?
The InChIKey is YYMBTERCJPUGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-8-15-6-9(19-8)7-16-12-10-4-2-3-5-11(10)17-13(14)18-12/h2-6H,7H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine?
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine has a molecular weight of 290.78 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 55080452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).