N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

C17H16N2O2S — CID 774248

IUPACN-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)c3ccco3)sc2C)c1
InChIInChI=1S/C17H16N2O2S/c1-10-6-7-11(2)13(9-10)15-12(3)22-17(18-15)19-16(20)14-5-4-8-21-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyMTUPDDVOQPCEJO-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.58
Rot. Bonds3

About N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 774248) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID774248
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)c3ccco3)sc2C)c1
InChIInChI=1S/C17H16N2O2S/c1-10-6-7-11(2)13(9-10)15-12(3)22-17(18-15)19-16(20)14-5-4-8-21-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyMTUPDDVOQPCEJO-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183433
2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
N-[1-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4842765
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-[1-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 112768087
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607
N-[5-methyl-4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20997508
N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide
CID 156585824

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 774248) is N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1ccc(C)c(-c2nc(NC(=O)c3ccco3)sc2C)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is MTUPDDVOQPCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-6-7-11(2)13(9-10)15-12(3)22-17(18-15)19-16(20)14-5-4-8-21-14/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 774248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).