N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C17H14ClFN2OS2 — CID 24655719

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14ClFN2OS2/c1-2-21(9-13-7-8-15(18)24-13)17(22)14-10-23-16(20-14)11-3-5-12(19)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeySSTWXLPWDIDCBK-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.33
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24655719) has the molecular formula C17H14ClFN2OS2 and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID24655719
Molecular FormulaC17H14ClFN2OS2
Molecular Weight380.90 g/mol
Exact Mass380.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14ClFN2OS2/c1-2-21(9-13-7-8-15(18)24-13)17(22)14-10-23-16(20-14)11-3-5-12(19)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeySSTWXLPWDIDCBK-UHFFFAOYSA-N
XLogP5.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 24655719) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SSTWXLPWDIDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2OS2/c1-2-21(9-13-7-8-15(18)24-13)17(22)14-10-23-16(20-14)11-3-5-12(19)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24655719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).