2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine

C11H18N2S2 — CID 115091155

IUPAC2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1cnc(CC2CCCSC2)s1
InChIInChI=1S/C11H18N2S2/c12-4-3-10-7-13-11(15-10)6-9-2-1-5-14-8-9/h7,9H,1-6,8,12H2
InChIKeyWTGMMNFSUUEBSU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.33
Rot. Bonds4

About 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine

2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115091155) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115091155
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1cnc(CC2CCCSC2)s1
InChIInChI=1S/C11H18N2S2/c12-4-3-10-7-13-11(15-10)6-9-2-1-5-14-8-9/h7,9H,1-6,8,12H2
InChIKeyWTGMMNFSUUEBSU-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

3-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091179
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115090159
N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091138
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090123
3-[3-(thian-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081659
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 94686224
2-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 115021526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 115091155) is 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine is NCCc1cnc(CC2CCCSC2)s1.
What is the InChIKey of 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WTGMMNFSUUEBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c12-4-3-10-7-13-11(15-10)6-9-2-1-5-14-8-9/h7,9H,1-6,8,12H2.
What are the key properties of 2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-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-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115091155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).