4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine

C10H16ClN3S — CID 83156155

IUPAC4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
SMILESClc1csc(NCCC2CCCNC2)n1
InChIInChI=1S/C10H16ClN3S/c11-9-7-15-10(14-9)13-5-3-8-2-1-4-12-6-8/h7-8,12H,1-6H2,(H,13,14)
InChIKeyVFJOBMKUJQKTMI-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine

4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine (PubChem CID 83156155) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
PubChem CID83156155
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
SMILESClc1csc(NCCC2CCCNC2)n1
InChIInChI=1S/C10H16ClN3S/c11-9-7-15-10(14-9)13-5-3-8-2-1-4-12-6-8/h7-8,12H,1-6H2,(H,13,14)
InChIKeyVFJOBMKUJQKTMI-UHFFFAOYSA-N
XLogP2.60
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 83153628
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
5-chloro-N-(2-piperidin-3-ylethyl)thiophen-2-amine
CID 115211249
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
CID 63241058
2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 83153384
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine (CID 83156155) is 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine is Clc1csc(NCCC2CCCNC2)n1.
What is the InChIKey of 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is VFJOBMKUJQKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c11-9-7-15-10(14-9)13-5-3-8-2-1-4-12-6-8/h7-8,12H,1-6H2,(H,13,14).
What are the key properties of 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 245.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83156155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).