2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide

C12H14N2O2S — CID 58181819

IUPAC2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)C)n2)o1
InChIInChI=1S/C12H14N2O2S/c1-7(2)11(15)14-12-13-9(6-17-12)10-5-4-8(3)16-10/h4-7H,1-3H3,(H,13,14,15)
InChIKeyFJNSIBREEUVRRP-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.31
Rot. Bonds3

About 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 58181819) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID58181819
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)C)n2)o1
InChIInChI=1S/C12H14N2O2S/c1-7(2)11(15)14-12-13-9(6-17-12)10-5-4-8(3)16-10/h4-7H,1-3H3,(H,13,14,15)
InChIKeyFJNSIBREEUVRRP-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4065102
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
3-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 5075767
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
4-chloro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094660
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966881
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 9094671
1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31859752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide (CID 58181819) is 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)C(C)C)n2)o1.
What is the InChIKey of 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is FJNSIBREEUVRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7(2)11(15)14-12-13-9(6-17-12)10-5-4-8(3)16-10/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 250.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 58181819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).