4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole

C9H13ClN2S — CID 83156680

IUPAC4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C9H13ClN2S/c1-7-2-4-12(5-3-7)9-11-8(10)6-13-9/h6-7H,2-5H2,1H3
InChIKeyOAVBTHXOLGDXQZ-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole

4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 83156680) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID83156680
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C9H13ClN2S/c1-7-2-4-12(5-3-7)9-11-8(10)6-13-9/h6-7H,2-5H2,1H3
InChIKeyOAVBTHXOLGDXQZ-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidinyl(trimethylstannyl)thiazole
CID 59118286
4-Chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 83156608
4-Chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 83156731
1-(4-Chloro-1,3-thiazol-2-yl)-4,4-difluoropiperidine
CID 164648549
1-(4-Chloro-1,3-thiazol-2-yl)-4-fluoropiperidine
CID 164651185
N,N-diethyl-4-piperidin-1-yl-1,3-thiazol-2-amine
CID 15329642
4-(4-Propylpiperidin-1-yl)-1,3-thiazol-2-amine
CID 20143738
4-Chloro-2-(piperidin-1-YL)thiazole
CID 21667472
2-(4-Methylpiperidin-1-yl)thiazole-4-boronic acid
CID 45785534
4-Bromo-2-(4-methylpiperidin-1-YL)thiazole
CID 45787528
2-(3-Methylpiperidin-1-yl)thiazole-4-boronic acid
CID 53398588
4-Chloro-2-(4-ethylpiperidin-1-yl)-1,3-thiazole
CID 83156082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole (CID 83156680) is 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole is CC1CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is OAVBTHXOLGDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-7-2-4-12(5-3-7)9-11-8(10)6-13-9/h6-7H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 216.74 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83156680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).