3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile

C10H8N2S2 — CID 116890038

IUPAC3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile
SMILESN#CCCc1csc(-c2cccs2)n1
InChIInChI=1S/C10H8N2S2/c11-5-1-3-8-7-14-10(12-8)9-4-2-6-13-9/h2,4,6-7H,1,3H2
InChIKeyVBPJHNOZXDZCHH-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.33
Rot. Bonds3

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

3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile (PubChem CID 116890038) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile
PubChem CID116890038
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile
SMILESN#CCCc1csc(-c2cccs2)n1
InChIInChI=1S/C10H8N2S2/c11-5-1-3-8-7-14-10(12-8)9-4-2-6-13-9/h2,4,6-7H,1,3H2
InChIKeyVBPJHNOZXDZCHH-UHFFFAOYSA-N
XLogP3.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
CID 116888514
3-[2-(4-propylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890055
3,5-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694033
(4-cyanophenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774879
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[(4-cyanophenyl)methyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39860098
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile?
The IUPAC name of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile (CID 116890038) is 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile?
The canonical SMILES for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile is N#CCCc1csc(-c2cccs2)n1.
What is the InChIKey of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile?
The InChIKey is VBPJHNOZXDZCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c11-5-1-3-8-7-14-10(12-8)9-4-2-6-13-9/h2,4,6-7H,1,3H2.
What are the key properties of 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile?
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile has a molecular weight of 220.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile is sourced from PubChem (CID 116890038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).