N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide

C11H12N2OS2 — CID 110723376

IUPACN-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)c1nccs1
InChIInChI=1S/C11H12N2OS2/c1-13(11-12-6-8-16-11)10(14)5-4-9-3-2-7-15-9/h2-3,6-8H,4-5H2,1H3
InChIKeyLZAUWYYQEDVHGU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide

N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 110723376) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID110723376
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CCc1cccs1)c1nccs1
InChIInChI=1S/C11H12N2OS2/c1-13(11-12-6-8-16-11)10(14)5-4-9-3-2-7-15-9/h2-3,6-8H,4-5H2,1H3
InChIKeyLZAUWYYQEDVHGU-UHFFFAOYSA-N
XLogP2.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-quinoxalin-6-yl-3-thiophen-2-ylpropanamide
CID 110869527
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-methyl-5-[methyl(3-thiophen-2-ylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402943
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
ethyl 2-[methyl(3-thiophen-2-ylpropanoyl)amino]acetate
CID 55003743
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723399
2-(3-thiophen-2-ylpropyl)-1,3-thiazole
CID 141496467
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95621644

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide (CID 110723376) is N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide is CN(C(=O)CCc1cccs1)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is LZAUWYYQEDVHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-13(11-12-6-8-16-11)10(14)5-4-9-3-2-7-15-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide?
N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110723376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).