4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C16H17N3O2S2 — CID 38432031

IUPAC4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3nc(C(C)C)cs3)s2)o1
InChIInChI=1S/C16H17N3O2S2/c1-8(2)11-7-22-16(18-11)19-14(20)13-10(4)17-15(23-13)12-6-5-9(3)21-12/h5-8H,1-4H3,(H,18,19,20)
InChIKeyNJISOVYIPJMTJI-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.85
Rot. Bonds4

About 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 38432031) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID38432031
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3nc(C(C)C)cs3)s2)o1
InChIInChI=1S/C16H17N3O2S2/c1-8(2)11-7-22-16(18-11)19-14(20)13-10(4)17-15(23-13)12-6-5-9(3)21-12/h5-8H,1-4H3,(H,18,19,20)
InChIKeyNJISOVYIPJMTJI-UHFFFAOYSA-N
XLogP4.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 47030018
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38484325
5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 64545262
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
N-(1H-indazol-7-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38487420

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 38432031) is 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(C(C)C)cs3)s2)o1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NJISOVYIPJMTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-8(2)11-7-22-16(18-11)19-14(20)13-10(4)17-15(23-13)12-6-5-9(3)21-12/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38432031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).