4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

C12H17N3S2 — CID 65484257

IUPAC4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCN(CCc1csc(N)n1)Cc1cccs1
InChIInChI=1S/C12H17N3S2/c1-2-15(8-11-4-3-7-16-11)6-5-10-9-17-12(13)14-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyYQSUTGURAINYSW-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.85
Rot. Bonds6

About 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65484257) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65484257
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCN(CCc1csc(N)n1)Cc1cccs1
InChIInChI=1S/C12H17N3S2/c1-2-15(8-11-4-3-7-16-11)6-5-10-9-17-12(13)14-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyYQSUTGURAINYSW-UHFFFAOYSA-N
XLogP2.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62798161
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-2-amine;hydrochloride
CID 75509584
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
CID 63697554
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65484257) is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is CCN(CCc1csc(N)n1)Cc1cccs1.
What is the InChIKey of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is YQSUTGURAINYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-2-15(8-11-4-3-7-16-11)6-5-10-9-17-12(13)14-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,14).
What are the key properties of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).