4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C16H15N3OS — CID 2877268

IUPAC4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1
InChIInChI=1S/C16H15N3OS/c1-11-7-8-17-15(9-11)19-16-18-14(10-21-16)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyLOFZQPZBTLGLOP-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.27
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 2877268) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID2877268
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1
InChIInChI=1S/C16H15N3OS/c1-11-7-8-17-15(9-11)19-16-18-14(10-21-16)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3,(H,17,18,19)
InChIKeyLOFZQPZBTLGLOP-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 2877268) is 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is LOFZQPZBTLGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-7-8-17-15(9-11)19-16-18-14(10-21-16)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).