4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H25N3O2S — CID 71895393

IUPAC4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C19H25N3O2S/c1-13-7-3-4-9-16(13)24-12-11-21-18(23)17-14(2)22-19(25-17)15-8-5-6-10-20-15/h5-6,8,10,13,16H,3-4,7,9,11-12H2,1-2H3,(H,21,23)
InChIKeyJPGUXACTSLLDDX-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.84
Rot. Bonds6

About 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71895393) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71895393
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C19H25N3O2S/c1-13-7-3-4-9-16(13)24-12-11-21-18(23)17-14(2)22-19(25-17)15-8-5-6-10-20-15/h5-6,8,10,13,16H,3-4,7,9,11-12H2,1-2H3,(H,21,23)
InChIKeyJPGUXACTSLLDDX-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 71895393) is 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCCOC1CCCCC1C.
What is the InChIKey of 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JPGUXACTSLLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-7-3-4-9-16(13)24-12-11-21-18(23)17-14(2)22-19(25-17)15-8-5-6-10-20-15/h5-6,8,10,13,16H,3-4,7,9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71895393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).