2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C16H16FN5OS — CID 71983107

IUPAC2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nncn1CCNC(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C16H16FN5OS/c1-11-21-19-10-22(11)7-6-18-16(23)14-9-24-15(20-14)8-12-4-2-3-5-13(12)17/h2-5,9-10H,6-8H2,1H3,(H,18,23)
InChIKeyZXBALRWMPDMBIG-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.20
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 71983107) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID71983107
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nncn1CCNC(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C16H16FN5OS/c1-11-21-19-10-22(11)7-6-18-16(23)14-9-24-15(20-14)8-12-4-2-3-5-13(12)17/h2-5,9-10H,6-8H2,1H3,(H,18,23)
InChIKeyZXBALRWMPDMBIG-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 111433392
5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235215
2-[(2-fluorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86972972
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
3-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190688
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
CID 120597117
(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 56792147
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 71983107) is 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nncn1CCNC(=O)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZXBALRWMPDMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-11-21-19-10-22(11)7-6-18-16(23)14-9-24-15(20-14)8-12-4-2-3-5-13(12)17/h2-5,9-10H,6-8H2,1H3,(H,18,23).
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71983107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).