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

C16H14ClN3O2S — CID 859000

IUPACN-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(NCc2ccco2)nc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-10-14(15(21)19-12-6-4-11(17)5-7-12)20-16(23-10)18-9-13-3-2-8-22-13/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyOXDLBVNHPWQDTN-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.56
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 859000) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID859000
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(NCc2ccco2)nc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-10-14(15(21)19-12-6-4-11(17)5-7-12)20-16(23-10)18-9-13-3-2-8-22-13/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyOXDLBVNHPWQDTN-UHFFFAOYSA-N
XLogP4.56
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide (CID 859000) is N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(NCc2ccco2)nc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OXDLBVNHPWQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-10-14(15(21)19-12-6-4-11(17)5-7-12)20-16(23-10)18-9-13-3-2-8-22-13/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide?
N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 859000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).