2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine

C12H16N2S2 — CID 58112042

IUPAC2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine
SMILESCc1nc(CCc2ccc(CCN)s2)cs1
InChIInChI=1S/C12H16N2S2/c1-9-14-10(8-15-9)2-3-11-4-5-12(16-11)6-7-13/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyNXKHCFUXJUIKKJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.80
Rot. Bonds5

About 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine

2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine (PubChem CID 58112042) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine
PubChem CID58112042
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine
SMILESCc1nc(CCc2ccc(CCN)s2)cs1
InChIInChI=1S/C12H16N2S2/c1-9-14-10(8-15-9)2-3-11-4-5-12(16-11)6-7-13/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyNXKHCFUXJUIKKJ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thienyl)-4-thiazolemethanamine
CID 2776321
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
5-ethyl-N-(2-(2-methylthiazol-4-yl)ethyl)thiophene-2-sulfonamide
CID 16195696
(2-Thiophen-2-yl-1,3-thiazol-4-yl)methylazanium
CID 6932043
2-(5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl)ethan-1-amine dihydrochloride
CID 165899119
1-(5-ethyl-2-thienyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124216299
4-[(Z)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole
CID 102181353
4-[(E)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole
CID 177391455
2-[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethan-1-amine
CID 7131905
1-(2-Fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66051338
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66052320
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66053665

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine (CID 58112042) is 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine is Cc1nc(CCc2ccc(CCN)s2)cs1.
What is the InChIKey of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine?
The InChIKey is NXKHCFUXJUIKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9-14-10(8-15-9)2-3-11-4-5-12(16-11)6-7-13/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine?
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine has a molecular weight of 252.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethanamine is sourced from PubChem (CID 58112042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).