N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide

C16H13ClFN3O2S — CID 53152866

IUPACN-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCc2ccco2)sc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN3O2S/c1-9-14(15(22)21-10-4-5-13(18)12(17)7-10)24-16(20-9)19-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyKEOISEVAGDXALS-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.70
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152866) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152866
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCc2ccco2)sc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN3O2S/c1-9-14(15(22)21-10-4-5-13(18)12(17)7-10)24-16(20-9)19-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyKEOISEVAGDXALS-UHFFFAOYSA-N
XLogP4.70
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152866) is N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NCc2ccco2)sc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KEOISEVAGDXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-9-14(15(22)21-10-4-5-13(18)12(17)7-10)24-16(20-9)19-8-11-3-2-6-23-11/h2-7H,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).