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

C10H15ClN2S — CID 1481538

IUPAC2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1CCCN(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)7-9-5-12-10(11)14-9/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyXWHGDDRUUWBESD-MRVPVSSYSA-N
MW230.76 g/mol
LogP3.03
Rot. Bonds2

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

2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 1481538) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID1481538
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1CCCN(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)7-9-5-12-10(11)14-9/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyXWHGDDRUUWBESD-MRVPVSSYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methylpiperidine
CID 4616493
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
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 119039424
5-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793861
N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 126804159
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-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)propan-1-amine
CID 79764335
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79764478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole (CID 1481538) is 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is C[C@@H]1CCCN(Cc2cnc(Cl)s2)C1.
What is the InChIKey of 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XWHGDDRUUWBESD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8-3-2-4-13(6-8)7-9-5-12-10(11)14-9/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 1481538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).