N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide

C11H12N2OS2 — CID 110717409

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(CNC(=O)Cc2cccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-8-13-9(7-16-8)6-12-11(14)5-10-3-2-4-15-10/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyPSVDSOMUWVRXNC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.37
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 110717409) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID110717409
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(CNC(=O)Cc2cccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-8-13-9(7-16-8)6-12-11(14)5-10-3-2-4-15-10/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyPSVDSOMUWVRXNC-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 16866683
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide (CID 110717409) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide is Cc1nc(CNC(=O)Cc2cccs2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is PSVDSOMUWVRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-8-13-9(7-16-8)6-12-11(14)5-10-3-2-4-15-10/h2-4,7H,5-6H2,1H3,(H,12,14).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 252.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110717409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).