2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine

C12H16N2S2 — CID 82069570

IUPAC2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(-c2cccs2)c(CCN)s1
InChIInChI=1S/C12H16N2S2/c1-2-4-11-14-12(9-5-3-8-15-9)10(16-11)6-7-13/h3,5,8H,2,4,6-7,13H2,1H3
InChIKeyRQNWRTPNXRFIBC-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine

2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82069570) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID82069570
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCCCc1nc(-c2cccs2)c(CCN)s1
InChIInChI=1S/C12H16N2S2/c1-2-4-11-14-12(9-5-3-8-15-9)10(16-11)6-7-13/h3,5,8H,2,4,6-7,13H2,1H3
InChIKeyRQNWRTPNXRFIBC-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
[5-(pyridin-4-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106424
1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one
CID 157434059
5-(2-chloroethyl)-2,4-dithiophen-2-yl-1,3-thiazole
CID 28709881
2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethanamine
CID 39101600
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
CID 61334911
5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
CID 28709886
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine (CID 82069570) is 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine is CCCc1nc(-c2cccs2)c(CCN)s1.
What is the InChIKey of 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is RQNWRTPNXRFIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-2-4-11-14-12(9-5-3-8-15-9)10(16-11)6-7-13/h3,5,8H,2,4,6-7,13H2,1H3.
What are the key properties of 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine?
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82069570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).