4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine

C16H15N3S — CID 79817613

IUPAC4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
SMILESCc1ccnc(N)c1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H15N3S/c1-11-7-8-18-16(17)13(11)9-15-19-14(10-20-15)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18)
InChIKeyPDHLFOJMKXBFHA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.69
Rot. Bonds3

About 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine

4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine (PubChem CID 79817613) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
PubChem CID79817613
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
SMILESCc1ccnc(N)c1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H15N3S/c1-11-7-8-18-16(17)13(11)9-15-19-14(10-20-15)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18)
InChIKeyPDHLFOJMKXBFHA-UHFFFAOYSA-N
XLogP3.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine (CID 79817613) is 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine is Cc1ccnc(N)c1Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is PDHLFOJMKXBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-7-8-18-16(17)13(11)9-15-19-14(10-20-15)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18).
What are the key properties of 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79817613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).