4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide

C16H13N3O2S — CID 47789215

IUPAC4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H13N3O2S/c1-11-15(22-10-18-11)16(20)19-12-7-8-14(17-9-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20)
InChIKeyTUEWYHFUWFVUGP-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.89
Rot. Bonds4

About 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 47789215) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID47789215
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H13N3O2S/c1-11-15(22-10-18-11)16(20)19-12-7-8-14(17-9-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20)
InChIKeyTUEWYHFUWFVUGP-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47789323
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
2-[[6-(4-tert-butylphenoxy)-3-pyridinyl]carbamoyl]benzoic acid
CID 2814281
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90317472
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539
N-(6-phenoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 56799313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 47789215) is 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TUEWYHFUWFVUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-11-15(22-10-18-11)16(20)19-12-7-8-14(17-9-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20).
What are the key properties of 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47789215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).