N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C17H16N2O2S2 — CID 110902207

IUPACN-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H16N2O2S2/c1-11-15(23-17(18-11)14-3-2-10-22-14)16(21)19-13-6-4-12(5-7-13)8-9-20/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyOUMAJPHMRDPHSJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.97
Rot. Bonds5

About N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 110902207) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID110902207
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H16N2O2S2/c1-11-15(23-17(18-11)14-3-2-10-22-14)16(21)19-13-6-4-12(5-7-13)8-9-20/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyOUMAJPHMRDPHSJ-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-(4-imidazol-1-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31410008
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 34264864
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110002956
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 115594896
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 110902207) is N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OUMAJPHMRDPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11-15(23-17(18-11)14-3-2-10-22-14)16(21)19-13-6-4-12(5-7-13)8-9-20/h2-7,10,20H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110902207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).