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

C19H16N4O2S2 — CID 11958625

IUPACN-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
InChIInChI=1S/C19H16N4O2S2/c1-11-6-3-4-7-13(11)21-18-22-14(10-26-18)16-12(2)20-19(27-16)23-17(24)15-8-5-9-25-15/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeySFANYHOPCRAIBU-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.47
Rot. Bonds5

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

N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11958625) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11958625
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
InChIInChI=1S/C19H16N4O2S2/c1-11-6-3-4-7-13(11)21-18-22-14(10-26-18)16-12(2)20-19(27-16)23-17(24)15-8-5-9-25-15/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeySFANYHOPCRAIBU-UHFFFAOYSA-N
XLogP5.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-furoylamino)-N-mesityl-4-methyl-1,3-thiazole-5-carboxamide
CID 21911271
N-(2-chloro-6-methylphenyl)-2-(2-furoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 21911611
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
A1/A3 AR antagonist 2
CID 162673862
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11958625) is N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1.
What is the InChIKey of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is SFANYHOPCRAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-11-6-3-4-7-13(11)21-18-22-14(10-26-18)16-12(2)20-19(27-16)23-17(24)15-8-5-9-25-15/h3-10H,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11958625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).