N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C14H12ClN5S — CID 108777939

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(-c3ccccn3)cs2)n1
InChIInChI=1S/C14H12ClN5S/c1-2-12-18-11(15)7-13(19-12)20-14-17-10(8-21-14)9-5-3-4-6-16-9/h3-8H,2H2,1H3,(H,17,18,19,20)
InChIKeyXGIMKDCMPZSCFC-UHFFFAOYSA-N
MW317.81 g/mol
LogP3.95
Rot. Bonds4

About N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 108777939) has the molecular formula C14H12ClN5S and a molecular weight of 317.81 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID108777939
Molecular FormulaC14H12ClN5S
Molecular Weight317.81 g/mol
Exact Mass317.05
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(-c3ccccn3)cs2)n1
InChIInChI=1S/C14H12ClN5S/c1-2-12-18-11(15)7-13(19-12)20-14-17-10(8-21-14)9-5-3-4-6-16-9/h3-8H,2H2,1H3,(H,17,18,19,20)
InChIKeyXGIMKDCMPZSCFC-UHFFFAOYSA-N
XLogP3.95
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
CID 108778532
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 86076382
N-(3-chloro-2-methylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 746698
2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 82059224
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride
CID 87790767
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 108777939) is N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine is CCc1nc(Cl)cc(Nc2nc(-c3ccccn3)cs2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XGIMKDCMPZSCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5S/c1-2-12-18-11(15)7-13(19-12)20-14-17-10(8-21-14)9-5-3-4-6-16-9/h3-8H,2H2,1H3,(H,17,18,19,20).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 317.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108777939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).