2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole

C10H15ClN2S — CID 106838472

IUPAC2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
SMILESCC(Cl)C1CCN(c2nccs2)CC1
InChIInChI=1S/C10H15ClN2S/c1-8(11)9-2-5-13(6-3-9)10-12-4-7-14-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyHAWIMTMSUBLSAM-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.99
Rot. Bonds2

About 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole

2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole (PubChem CID 106838472) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
PubChem CID106838472
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
SMILESCC(Cl)C1CCN(c2nccs2)CC1
InChIInChI=1S/C10H15ClN2S/c1-8(11)9-2-5-13(6-3-9)10-12-4-7-14-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyHAWIMTMSUBLSAM-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 86786510
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole (CID 106838472) is 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole is CC(Cl)C1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is HAWIMTMSUBLSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8(11)9-2-5-13(6-3-9)10-12-4-7-14-10/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole?
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 106838472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).