2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine

C11H18N2S2 — CID 115088155

IUPAC2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(CC2CCSCC2)n1
InChIInChI=1S/C11H18N2S2/c12-4-1-10-8-15-11(13-10)7-9-2-5-14-6-3-9/h8-9H,1-7,12H2
InChIKeyCNMODXXEVCVLQJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.33
Rot. Bonds4

About 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115088155) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115088155
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(CC2CCSCC2)n1
InChIInChI=1S/C11H18N2S2/c12-4-1-10-8-15-11(13-10)7-9-2-5-14-6-3-9/h8-9H,1-7,12H2
InChIKeyCNMODXXEVCVLQJ-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
3-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 115088202
1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115087946
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115087624
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine (CID 115088155) is 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(CC2CCSCC2)n1.
What is the InChIKey of 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is CNMODXXEVCVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c12-4-1-10-8-15-11(13-10)7-9-2-5-14-6-3-9/h8-9H,1-7,12H2.
What are the key properties of 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 242.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115088155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).