2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine

C10H16ClN3S — CID 83155436

IUPAC2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1c1nc(Cl)cs1
InChIInChI=1S/C10H16ClN3S/c11-9-7-15-10(13-9)14-6-2-1-3-8(14)4-5-12/h7-8H,1-6,12H2
InChIKeyKXZZJPYQMAZMMD-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.50
Rot. Bonds3

About 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine

2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine (PubChem CID 83155436) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine
PubChem CID83155436
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1c1nc(Cl)cs1
InChIInChI=1S/C10H16ClN3S/c11-9-7-15-10(13-9)14-6-2-1-3-8(14)4-5-12/h7-8H,1-6,12H2
InChIKeyKXZZJPYQMAZMMD-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63760448
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol
CID 131207459
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole
CID 83156244
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587
2-(azepan-1-yl)-4-chloro-1,3-thiazole
CID 83155585
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62961582

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine (CID 83155436) is 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine is NCCC1CCCCN1c1nc(Cl)cs1.
What is the InChIKey of 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine?
The InChIKey is KXZZJPYQMAZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c11-9-7-15-10(13-9)14-6-2-1-3-8(14)4-5-12/h7-8H,1-6,12H2.
What are the key properties of 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine?
2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine has a molecular weight of 245.78 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 83155436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).