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

C11H12ClN3S — CID 103756472

IUPAC2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1csc(CCNc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H12ClN3S/c1-8-7-16-11(15-8)3-5-13-9-2-4-14-10(12)6-9/h2,4,6-7H,3,5H2,1H3,(H,13,14)
InChIKeyOJLQHZZHAUCDPB-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.15
Rot. Bonds4

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

2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine (PubChem CID 103756472) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
PubChem CID103756472
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1csc(CCNc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H12ClN3S/c1-8-7-16-11(15-8)3-5-13-9-2-4-14-10(12)6-9/h2,4,6-7H,3,5H2,1H3,(H,13,14)
InChIKeyOJLQHZZHAUCDPB-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 94280499
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79728660
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827845
2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
CID 133415553
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine (CID 103756472) is 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine is Cc1csc(CCNc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The InChIKey is OJLQHZZHAUCDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-8-7-16-11(15-8)3-5-13-9-2-4-14-10(12)6-9/h2,4,6-7H,3,5H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103756472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).