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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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).