N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H14F2N2O2S — CID 86791331

IUPACN-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2S/c1-8-13(21-7-18-8)14(20)17-6-11(19)4-9-2-3-10(15)5-12(9)16/h2-3,5,7,11,19H,4,6H2,1H3,(H,17,20)
InChIKeyOVPWGIQNLSJTOG-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.06
Rot. Bonds5

About N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 86791331) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID86791331
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2S/c1-8-13(21-7-18-8)14(20)17-6-11(19)4-9-2-3-10(15)5-12(9)16/h2-3,5,7,11,19H,4,6H2,1H3,(H,17,20)
InChIKeyOVPWGIQNLSJTOG-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 97306541
N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]isoquinoline-1-carboxamide
CID 75456773
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
N-[2-[[N-ethyl-N'-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 111889744
2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105078465
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679748

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 86791331) is N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(O)Cc1ccc(F)cc1F.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OVPWGIQNLSJTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-8-13(21-7-18-8)14(20)17-6-11(19)4-9-2-3-10(15)5-12(9)16/h2-3,5,7,11,19H,4,6H2,1H3,(H,17,20).
What are the key properties of N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-2-hydroxypropyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86791331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).