N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

C19H22ClN5OS — CID 46971844

IUPACN-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1nc(C)n(CC(C)C(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C19H22ClN5OS/c1-12(10-25-14(3)22-13(2)24-25)19(26)21-9-8-18-23-17(11-27-18)15-4-6-16(20)7-5-15/h4-7,11-12H,8-10H2,1-3H3,(H,21,26)
InChIKeyAAJBTAQNLZLPSC-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.67
Rot. Bonds7

About N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (PubChem CID 46971844) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
PubChem CID46971844
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC NameN-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1nc(C)n(CC(C)C(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C19H22ClN5OS/c1-12(10-25-14(3)22-13(2)24-25)19(26)21-9-8-18-23-17(11-27-18)15-4-6-16(20)7-5-15/h4-7,11-12H,8-10H2,1-3H3,(H,21,26)
InChIKeyAAJBTAQNLZLPSC-UHFFFAOYSA-N
XLogP3.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
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N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
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N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
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CID 46970113
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
(2R)-N-(3,5-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 42588518
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
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CID 1497759
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (CID 46971844) is N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is Cc1nc(C)n(CC(C)C(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The InChIKey is AAJBTAQNLZLPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5OS/c1-12(10-25-14(3)22-13(2)24-25)19(26)21-9-8-18-23-17(11-27-18)15-4-6-16(20)7-5-15/h4-7,11-12H,8-10H2,1-3H3,(H,21,26).
What are the key properties of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide has a molecular weight of 403.94 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 46971844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).