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

C11H12ClN3S — CID 103756779

IUPAC2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1csc(C(C)Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H12ClN3S/c1-7-6-16-11(14-7)8(2)15-9-3-4-13-10(12)5-9/h3-6,8H,1-2H3,(H,13,15)
InChIKeyYANKEDDRVHGDMD-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.67
Rot. Bonds3

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

2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine (PubChem CID 103756779) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
PubChem CID103756779
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1csc(C(C)Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C11H12ClN3S/c1-7-6-16-11(14-7)8(2)15-9-3-4-13-10(12)5-9/h3-6,8H,1-2H3,(H,13,15)
InChIKeyYANKEDDRVHGDMD-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.67
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

2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767901
2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917622
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
2-fluoro-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113319865
1-[2-amino-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104528908
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63940208
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
CID 63779009
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine (CID 103756779) is 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine is Cc1csc(C(C)Nc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The InChIKey is YANKEDDRVHGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-6-16-11(14-7)8(2)15-9-3-4-13-10(12)5-9/h3-6,8H,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103756779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).