(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

C17H18ClN5OS — CID 97254055

IUPAC(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)C[C@H](Nc1ncnc2cc(Cl)ccc12)C(=O)Nc1nccs1
InChIInChI=1S/C17H18ClN5OS/c1-10(2)7-14(16(24)23-17-19-5-6-25-17)22-15-12-4-3-11(18)8-13(12)20-9-21-15/h3-6,8-10,14H,7H2,1-2H3,(H,19,23,24)(H,20,21,22)/t14-/m0/s1
InChIKeyJTSGKKGQGKBYMM-AWEZNQCLSA-N
MW375.89 g/mol
LogP4.20
Rot. Bonds6

About (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 97254055) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID97254055
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)C[C@H](Nc1ncnc2cc(Cl)ccc12)C(=O)Nc1nccs1
InChIInChI=1S/C17H18ClN5OS/c1-10(2)7-14(16(24)23-17-19-5-6-25-17)22-15-12-4-3-11(18)8-13(12)20-9-21-15/h3-6,8-10,14H,7H2,1-2H3,(H,19,23,24)(H,20,21,22)/t14-/m0/s1
InChIKeyJTSGKKGQGKBYMM-AWEZNQCLSA-N
XLogP4.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
CID 42961075
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97143316
4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75397995
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
CID 3265126
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 41062772
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351
1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143318
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 97254055) is (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(C)C[C@H](Nc1ncnc2cc(Cl)ccc12)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is JTSGKKGQGKBYMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c1-10(2)7-14(16(24)23-17-19-5-6-25-17)22-15-12-4-3-11(18)8-13(12)20-9-21-15/h3-6,8-10,14H,7H2,1-2H3,(H,19,23,24)(H,20,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 375.89 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 97254055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).