N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide

C11H12N2OS2 — CID 2558912

IUPACN-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1nccs1
InChIInChI=1S/C11H12N2OS2/c14-10(13-11-12-6-8-16-11)5-1-3-9-4-2-7-15-9/h2,4,6-8H,1,3,5H2,(H,12,13,14)
InChIKeyPUSHHTGTKXTUSP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.17
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide

N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 2558912) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID2558912
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1nccs1
InChIInChI=1S/C11H12N2OS2/c14-10(13-11-12-6-8-16-11)5-1-3-9-4-2-7-15-9/h2,4,6-8H,1,3,5H2,(H,12,13,14)
InChIKeyPUSHHTGTKXTUSP-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2529101
1-Thiazol-2-yl-3-[2-(2-thienyl)ethyl]thiourea
CID 3003027
3-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2370424
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-(5-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 2116452
5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2463702
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898
5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 1247663
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 727132

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide (CID 2558912) is N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is PUSHHTGTKXTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c14-10(13-11-12-6-8-16-11)5-1-3-9-4-2-7-15-9/h2,4,6-8H,1,3,5H2,(H,12,13,14).
What are the key properties of N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide?
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2558912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).