[3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone

C18H17N3OS — CID 167037307

IUPAC[3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ncc(-c3scnc3C)cc2N)c1C
InChIInChI=1S/C18H17N3OS/c1-10-5-4-6-14(11(10)2)17(22)16-15(19)7-13(8-20-16)18-12(3)21-9-23-18/h4-9H,19H2,1-3H3
InChIKeyAELQXAMWFMQGJW-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.94
Rot. Bonds3

About [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone

[3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone (PubChem CID 167037307) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone
PubChem CID167037307
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name[3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ncc(-c3scnc3C)cc2N)c1C
InChIInChI=1S/C18H17N3OS/c1-10-5-4-6-14(11(10)2)17(22)16-15(19)7-13(8-20-16)18-12(3)21-9-23-18/h4-9H,19H2,1-3H3
InChIKeyAELQXAMWFMQGJW-UHFFFAOYSA-N
XLogP3.94
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone?
The IUPAC name of [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone (CID 167037307) is [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone?
The canonical SMILES for [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2ncc(-c3scnc3C)cc2N)c1C.
What is the InChIKey of [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone?
The InChIKey is AELQXAMWFMQGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-10-5-4-6-14(11(10)2)17(22)16-15(19)7-13(8-20-16)18-12(3)21-9-23-18/h4-9H,19H2,1-3H3.
What are the key properties of [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone?
[3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone has a molecular weight of 323.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 167037307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).