N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

C16H15N3O2S — CID 649469

IUPACN-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)18-16-19-14(10-22-16)15(20)17-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyRPZMRXPUQJHYAU-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.72
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 649469) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID649469
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)18-16-19-14(10-22-16)15(20)17-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyRPZMRXPUQJHYAU-UHFFFAOYSA-N
XLogP3.72
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (CID 649469) is N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is RPZMRXPUQJHYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)18-16-19-14(10-22-16)15(20)17-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).