4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine

C9H14ClN3S — CID 130908656

IUPAC4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine
SMILESC[C@@H]1NCCC[C@@H]1Nc1nc(Cl)cs1
InChIInChI=1S/C9H14ClN3S/c1-6-7(3-2-4-11-6)12-9-13-8(10)5-14-9/h5-7,11H,2-4H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyZNUXENGKVKQHFE-BQBZGAKWSA-N
MW231.75 g/mol
LogP2.35
Rot. Bonds2

About 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine

4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine (PubChem CID 130908656) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine
PubChem CID130908656
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine
SMILESC[C@@H]1NCCC[C@@H]1Nc1nc(Cl)cs1
InChIInChI=1S/C9H14ClN3S/c1-6-7(3-2-4-11-6)12-9-13-8(10)5-14-9/h5-7,11H,2-4H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyZNUXENGKVKQHFE-BQBZGAKWSA-N
XLogP2.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 114695446
4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine
CID 130857385
3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine
CID 114695592
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine
CID 83152062
4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 83152279
4-chloro-N-(3,3-dimethylcyclopentyl)-1,3-thiazol-2-amine
CID 114548067
4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
CID 83152530
cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322407
4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
CID 83151957
5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine
CID 114695529
4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
CID 83156155
2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120574509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine (CID 130908656) is 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine is C[C@@H]1NCCC[C@@H]1Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is ZNUXENGKVKQHFE-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-6-7(3-2-4-11-6)12-9-13-8(10)5-14-9/h5-7,11H,2-4H2,1H3,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine?
4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130908656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).