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

C10H10ClN3S — CID 97357874

IUPAC2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESC[C@@H](Nc1ccnc(Cl)c1)c1nccs1
InChIInChI=1S/C10H10ClN3S/c1-7(10-13-4-5-15-10)14-8-2-3-12-9(11)6-8/h2-7H,1H3,(H,12,14)/t7-/m1/s1
InChIKeyTVZVESVDIKQBTL-SSDOTTSWSA-N
MW239.73 g/mol
LogP3.36
Rot. Bonds3

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

2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine (PubChem CID 97357874) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
PubChem CID97357874
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
SMILESC[C@@H](Nc1ccnc(Cl)c1)c1nccs1
InChIInChI=1S/C10H10ClN3S/c1-7(10-13-4-5-15-10)14-8-2-3-12-9(11)6-8/h2-7H,1H3,(H,12,14)/t7-/m1/s1
InChIKeyTVZVESVDIKQBTL-SSDOTTSWSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.36
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-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
2-chloro-4-[1-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 63938853
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
3-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 64993719
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990616
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 83076313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine (CID 97357874) is 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine is C[C@@H](Nc1ccnc(Cl)c1)c1nccs1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
The InChIKey is TVZVESVDIKQBTL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7(10-13-4-5-15-10)14-8-2-3-12-9(11)6-8/h2-7H,1H3,(H,12,14)/t7-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine?
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine has a molecular weight of 239.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 97357874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).