2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole

C10H15ClN2S — CID 4616493

IUPAC2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-8-4-2-3-5-13(8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3
InChIKeyFKJNYRKLVMOGTN-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole

2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 4616493) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID4616493
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-8-4-2-3-5-13(8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3
InChIKeyFKJNYRKLVMOGTN-UHFFFAOYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidine
CID 1481531
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine
CID 3736777
1-Allyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1475127
2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 1481538
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 75517933
(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 100694202
5-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793861
2-Tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole
CID 146338346
5-[(3,3-Difluoropiperidin-1-yl)methyl]-2-methyl-1,3-thiazole;ethane
CID 153556178
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61281410
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 79764078
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79764334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 4616493) is 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CCCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is FKJNYRKLVMOGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8-4-2-3-5-13(8)7-9-6-12-10(11)14-9/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 4616493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).