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

C18H19N3O4S — CID 53152853

IUPACN-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NCc3ccco3)nc2C)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-11-16(26-18(20-11)19-10-13-5-4-8-25-13)17(22)21-12-6-7-14(23-2)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJYJRCXRPVPUKLX-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.93
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152853) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152853
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NCc3ccco3)nc2C)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-11-16(26-18(20-11)19-10-13-5-4-8-25-13)17(22)21-12-6-7-14(23-2)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyJYJRCXRPVPUKLX-UHFFFAOYSA-N
XLogP3.93
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 53152856
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152974
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
4-N-(3,4-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915400
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
N-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152928
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152853) is N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(NCc3ccco3)nc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JYJRCXRPVPUKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-16(26-18(20-11)19-10-13-5-4-8-25-13)17(22)21-12-6-7-14(23-2)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).