4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C12H14N2O2S — CID 47209094

IUPAC4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2scnc2C)o1
InChIInChI=1S/C12H14N2O2S/c1-7-4-5-10(16-7)8(2)14-12(15)11-9(3)13-6-17-11/h4-6,8H,1-3H3,(H,14,15)
InChIKeyWHNXTXDVVCJVPE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47209094) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47209094
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2scnc2C)o1
InChIInChI=1S/C12H14N2O2S/c1-7-4-5-10(16-7)8(2)14-12(15)11-9(3)13-6-17-11/h4-6,8H,1-3H3,(H,14,15)
InChIKeyWHNXTXDVVCJVPE-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51187724
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
5-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 63722692
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71860913
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 47209094) is 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(C(C)NC(=O)c2scnc2C)o1.
What is the InChIKey of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WHNXTXDVVCJVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7-4-5-10(16-7)8(2)14-12(15)11-9(3)13-6-17-11/h4-6,8H,1-3H3,(H,14,15).
What are the key properties of 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47209094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).