5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C15H18ClN3S — CID 131944851

IUPAC5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C15H18ClN3S/c16-13-5-3-11(4-6-13)12-2-1-7-19(9-12)10-14-8-18-15(17)20-14/h3-6,8,12H,1-2,7,9-10H2,(H2,17,18)
InChIKeyPPDCALCXYZAEPF-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.76
Rot. Bonds3

About 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 131944851) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID131944851
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C15H18ClN3S/c16-13-5-3-11(4-6-13)12-2-1-7-19(9-12)10-14-8-18-15(17)20-14/h3-6,8,12H,1-2,7,9-10H2,(H2,17,18)
InChIKeyPPDCALCXYZAEPF-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120899134
5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901768
5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120900764
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 131944851) is 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCC(c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is PPDCALCXYZAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c16-13-5-3-11(4-6-13)12-2-1-7-19(9-12)10-14-8-18-15(17)20-14/h3-6,8,12H,1-2,7,9-10H2,(H2,17,18).
What are the key properties of 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 307.85 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131944851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).