N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine

C17H17N3S — CID 53437684

IUPACN-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1
InChIInChI=1S/C17H17N3S/c1-3-19-17-20-15(14-6-4-5-12(2)11-14)16(21-17)13-7-9-18-10-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyUHRBLROOEOGWPS-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.61
Rot. Bonds4

About N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine

N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 53437684) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID53437684
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1
InChIInChI=1S/C17H17N3S/c1-3-19-17-20-15(14-6-4-5-12(2)11-14)16(21-17)13-7-9-18-10-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyUHRBLROOEOGWPS-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea
CID 22282354
butane;4-(3-methylphenyl)pyridine
CID 155692257
N-[5-(2,6-dimethyl-4-pyridinyl)-4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 53432163
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
5-(2-chloro-4-pyridinyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole
CID 22932739
1-[4-(3-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541280
ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
CID 143863469
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
1-ethyl-3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]urea
CID 22993717
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
CID 10113346
2-ethyl-4-(3-methylphenyl)-5-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 11710028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine (CID 53437684) is N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine is CCNc1nc(-c2cccc(C)c2)c(-c2ccncc2)s1.
What is the InChIKey of N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is UHRBLROOEOGWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-19-17-20-15(14-6-4-5-12(2)11-14)16(21-17)13-7-9-18-10-8-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine?
N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 295.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 53437684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).