N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine

C20H17ClN4S — CID 166756472

IUPACN-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine
SMILESClc1ccccc1N1CN=C(Nc2cnsc2)c2ccc(C3CC3)cc21
InChIInChI=1S/C20H17ClN4S/c21-17-3-1-2-4-18(17)25-12-22-20(24-15-10-23-26-11-15)16-8-7-14(9-19(16)25)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,22,24)
InChIKeyRROZHMRHRTXPAU-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.64
Rot. Bonds3

About N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine

N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine (PubChem CID 166756472) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine
PubChem CID166756472
Molecular FormulaC20H17ClN4S
Molecular Weight380.90 g/mol
Exact Mass380.09
IUPAC NameN-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine
SMILESClc1ccccc1N1CN=C(Nc2cnsc2)c2ccc(C3CC3)cc21
InChIInChI=1S/C20H17ClN4S/c21-17-3-1-2-4-18(17)25-12-22-20(24-15-10-23-26-11-15)16-8-7-14(9-19(16)25)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,22,24)
InChIKeyRROZHMRHRTXPAU-UHFFFAOYSA-N
XLogP5.64
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine (CID 166756472) is N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine is Clc1ccccc1N1CN=C(Nc2cnsc2)c2ccc(C3CC3)cc21.
What is the InChIKey of N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine?
The InChIKey is RROZHMRHRTXPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4S/c21-17-3-1-2-4-18(17)25-12-22-20(24-15-10-23-26-11-15)16-8-7-14(9-19(16)25)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,22,24).
What are the key properties of N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine?
N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine has a molecular weight of 380.90 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine is sourced from PubChem (CID 166756472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).