1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine

C12H16N2S2 — CID 105169170

IUPAC1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1nccs1
InChIInChI=1S/C12H16N2S2/c13-10(9-12-14-6-8-16-12)3-1-4-11-5-2-7-15-11/h2,5-8,10H,1,3-4,9,13H2
InChIKeyORVCVOUPEWDYLL-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.10
Rot. Bonds6

About 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine

1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105169170) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105169170
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1nccs1
InChIInChI=1S/C12H16N2S2/c13-10(9-12-14-6-8-16-12)3-1-4-11-5-2-7-15-11/h2,5-8,10H,1,3-4,9,13H2
InChIKeyORVCVOUPEWDYLL-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-thiophen-2-ylpropyl)-1,3-thiazole
CID 141496467
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-amine
CID 105179968
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
7-thiophen-2-ylheptan-3-amine
CID 64505571
5-ethoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105169241
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
6-thiophen-2-ylhex-1-en-3-amine
CID 105161209
1-thiophen-2-yltridecan-2-amine
CID 65428259
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169291

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine (CID 105169170) is 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine is NC(CCCc1cccs1)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is ORVCVOUPEWDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c13-10(9-12-14-6-8-16-12)3-1-4-11-5-2-7-15-11/h2,5-8,10H,1,3-4,9,13H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine?
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105169170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).