2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide

C19H17N3O2S — CID 86891552

IUPAC2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cnc(C4CC4)s3)cn2)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-2-7-15(8-3-12)24-17-9-6-14(10-20-17)22-18(23)16-11-21-19(25-16)13-4-5-13/h2-3,6-11,13H,4-5H2,1H3,(H,22,23)
InChIKeyCGIAAAZZZFYDPY-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.77
Rot. Bonds5

About 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 86891552) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID86891552
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cnc(C4CC4)s3)cn2)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-2-7-15(8-3-12)24-17-9-6-14(10-20-17)22-18(23)16-11-21-19(25-16)13-4-5-13/h2-3,6-11,13H,4-5H2,1H3,(H,22,23)
InChIKeyCGIAAAZZZFYDPY-UHFFFAOYSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120798308
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide
CID 154845228
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide
CID 55972147
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55787539
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 86891552) is 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3cnc(C4CC4)s3)cn2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CGIAAAZZZFYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-2-7-15(8-3-12)24-17-9-6-14(10-20-17)22-18(23)16-11-21-19(25-16)13-4-5-13/h2-3,6-11,13H,4-5H2,1H3,(H,22,23).
What are the key properties of 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).