[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone

C16H18ClN3OS — CID 168582571

IUPAC[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2cnc(Cl)s2)cc1)N1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-16-19-11-14(22-16)10-18-13-6-4-12(5-7-13)15(21)20-8-2-1-3-9-20/h4-7,11,18H,1-3,8-10H2
InChIKeyJQYHMTMKEGSODU-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.03
Rot. Bonds4

About [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone

[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone (PubChem CID 168582571) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone
PubChem CID168582571
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2cnc(Cl)s2)cc1)N1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-16-19-11-14(22-16)10-18-13-6-4-12(5-7-13)15(21)20-8-2-1-3-9-20/h4-7,11,18H,1-3,8-10H2
InChIKeyJQYHMTMKEGSODU-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 168582257
[4-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 168583750
[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 134020114
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-piperidin-1-ylethoxy)aniline
CID 168584019
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
[4-[[(2-chloro-4-pyridinyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 133373184
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 168584079
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone (CID 168582571) is [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(NCc2cnc(Cl)s2)cc1)N1CCCCC1.
What is the InChIKey of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is JQYHMTMKEGSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-16-19-11-14(22-16)10-18-13-6-4-12(5-7-13)15(21)20-8-2-1-3-9-20/h4-7,11,18H,1-3,8-10H2.
What are the key properties of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 335.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 168582571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).