(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine

C9H14ClN3S — CID 86318021

IUPAC(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C9H14ClN3S/c10-9-12-4-8(14-9)6-13-3-1-2-7(11)5-13/h4,7H,1-3,5-6,11H2/t7-/m0/s1
InChIKeyDMJORKWIAMUALS-ZETCQYMHSA-N
MW231.75 g/mol
LogP1.72
Rot. Bonds2

About (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine

(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 86318021) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
PubChem CID86318021
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C9H14ClN3S/c10-9-12-4-8(14-9)6-13-3-1-2-7(11)5-13/h4,7H,1-3,5-6,11H2/t7-/m0/s1
InChIKeyDMJORKWIAMUALS-ZETCQYMHSA-N
XLogP1.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 79764841
ethyl (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81339167
(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine
CID 130600117
2-chloro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazole
CID 79765489
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
tert-butyl N-[[(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174485
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 104973704
1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-amine
CID 130825662
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine (CID 86318021) is (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine is N[C@H]1CCCN(Cc2cnc(Cl)s2)C1.
What is the InChIKey of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is DMJORKWIAMUALS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14ClN3S/c10-9-12-4-8(14-9)6-13-3-1-2-7(11)5-13/h4,7H,1-3,5-6,11H2/t7-/m0/s1.
What are the key properties of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 231.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 86318021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).