3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine

C11H12ClN3S — CID 104577268

IUPAC3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
SMILESCC(CNc1ccncc1Cl)c1nccs1
InChIInChI=1S/C11H12ClN3S/c1-8(11-14-4-5-16-11)6-15-10-2-3-13-7-9(10)12/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyAUXZTRXRFGQDIN-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.41
Rot. Bonds4

About 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine

3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine (PubChem CID 104577268) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
PubChem CID104577268
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
SMILESCC(CNc1ccncc1Cl)c1nccs1
InChIInChI=1S/C11H12ClN3S/c1-8(11-14-4-5-16-11)6-15-10-2-3-13-7-9(10)12/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyAUXZTRXRFGQDIN-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
4-fluoro-1-N-[2-(1,3-thiazol-2-yl)propyl]benzene-1,2-diamine
CID 114127004
5-bromo-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 104577285
5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 124680389
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 114127990
2-fluoro-6-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 104577319
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 136896856

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine (CID 104577268) is 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine is CC(CNc1ccncc1Cl)c1nccs1.
What is the InChIKey of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine?
The InChIKey is AUXZTRXRFGQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-8(11-14-4-5-16-11)6-15-10-2-3-13-7-9(10)12/h2-5,7-8H,6H2,1H3,(H,13,15).
What are the key properties of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine?
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine is sourced from PubChem (CID 104577268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).