N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

C15H13N3OS — CID 1092468

IUPACN-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H13N3OS/c1-19-13-4-2-3-12(9-13)17-15-18-14(10-20-15)11-5-7-16-8-6-11/h2-10H,1H3,(H,17,18)
InChIKeyZYQYHCSRNCMCCR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

About N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 1092468) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID1092468
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H13N3OS/c1-19-13-4-2-3-12(9-13)17-15-18-14(10-20-15)11-5-7-16-8-6-11/h2-10H,1H3,(H,17,18)
InChIKeyZYQYHCSRNCMCCR-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 1092468) is N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is ZYQYHCSRNCMCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-13-4-2-3-12(9-13)17-15-18-14(10-20-15)11-5-7-16-8-6-11/h2-10H,1H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 1092468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).