N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C16H15N3O2S — CID 102433006

IUPACN-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3=CC=CCN3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-12-7-5-11(6-8-12)16-18-13(10-22-16)15(20)19-14-4-2-3-9-17-14/h2-8,10,17H,9H2,1H3,(H,19,20)
InChIKeyFPRCFQOEIKFHTA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.55
Rot. Bonds4

About N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 102433006) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID102433006
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3=CC=CCN3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-12-7-5-11(6-8-12)16-18-13(10-22-16)15(20)19-14-4-2-3-9-17-14/h2-8,10,17H,9H2,1H3,(H,19,20)
InChIKeyFPRCFQOEIKFHTA-UHFFFAOYSA-N
XLogP2.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
N-cyclopropyl-2-[2-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoacetamide
CID 17392432
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
N-(2,5-dimethyl-4-pyridinyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 167821309

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 102433006) is N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3=CC=CCN3)cs2)cc1.
What is the InChIKey of N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FPRCFQOEIKFHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-12-7-5-11(6-8-12)16-18-13(10-22-16)15(20)19-14-4-2-3-9-17-14/h2-8,10,17H,9H2,1H3,(H,19,20).
What are the key properties of N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102433006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).