[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine

C16H15N3S — CID 63152579

IUPAC[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCc1cccnc1-c1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C16H15N3S/c1-11-4-3-7-18-15(11)16-19-14(10-20-16)13-6-2-5-12(8-13)9-17/h2-8,10H,9,17H2,1H3
InChIKeyCCJIOOZJFMWWEI-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.64
Rot. Bonds3

About [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine

[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 63152579) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
PubChem CID63152579
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCc1cccnc1-c1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C16H15N3S/c1-11-4-3-7-18-15(11)16-19-14(10-20-16)13-6-2-5-12(8-13)9-17/h2-8,10H,9,17H2,1H3
InChIKeyCCJIOOZJFMWWEI-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The IUPAC name of [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine (CID 63152579) is [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The canonical SMILES for [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine is Cc1cccnc1-c1nc(-c2cccc(CN)c2)cs1.
What is the InChIKey of [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The InChIKey is CCJIOOZJFMWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-4-3-7-18-15(11)16-19-14(10-20-16)13-6-2-5-12(8-13)9-17/h2-8,10H,9,17H2,1H3.
What are the key properties of [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine?
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 281.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 63152579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).