N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine

C14H13ClN4S — CID 22693040

IUPACN-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1csc(Nc2nc(Cl)nc3ccccc23)n1
InChIInChI=1S/C14H13ClN4S/c1-8(2)11-7-20-14(17-11)19-12-9-5-3-4-6-10(9)16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyKYGZOLUEUKBWQV-UHFFFAOYSA-N
MW304.81 g/mol
LogP4.61
Rot. Bonds3

About N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine

N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 22693040) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID22693040
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC NameN-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1csc(Nc2nc(Cl)nc3ccccc23)n1
InChIInChI=1S/C14H13ClN4S/c1-8(2)11-7-20-14(17-11)19-12-9-5-3-4-6-10(9)16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyKYGZOLUEUKBWQV-UHFFFAOYSA-N
XLogP4.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-chloro-N-(4-methylpent-1-yn-3-yl)quinazolin-4-amine
CID 114202742
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
4-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 82059189
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 22693040) is N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1csc(Nc2nc(Cl)nc3ccccc23)n1.
What is the InChIKey of N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KYGZOLUEUKBWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-8(2)11-7-20-14(17-11)19-12-9-5-3-4-6-10(9)16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 304.81 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroquinazolin-4-yl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 22693040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).