2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide

C14H14F2N2O3S — CID 86798571

IUPAC2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(CO)(CO)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H14F2N2O3S/c1-14(6-19,7-20)18-12(21)11-5-17-13(22-11)8-2-3-9(15)10(16)4-8/h2-5,19-20H,6-7H2,1H3,(H,18,21)
InChIKeyLLBBOMLLOCDLTN-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.56
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide

2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 86798571) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID86798571
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(CO)(CO)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H14F2N2O3S/c1-14(6-19,7-20)18-12(21)11-5-17-13(22-11)8-2-3-9(15)10(16)4-8/h2-5,19-20H,6-7H2,1H3,(H,18,21)
InChIKeyLLBBOMLLOCDLTN-UHFFFAOYSA-N
XLogP1.56
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 110021490
2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 110021620
2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 110018847
2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021373
2-(3,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021613
2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 110021988
2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 166356084
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-(3,4-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 166221330
4-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119204381
N-[3-(aminomethyl)pentan-3-yl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119569852
[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 99715528
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide (CID 86798571) is 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide is CC(CO)(CO)NC(=O)c1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LLBBOMLLOCDLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c1-14(6-19,7-20)18-12(21)11-5-17-13(22-11)8-2-3-9(15)10(16)4-8/h2-5,19-20H,6-7H2,1H3,(H,18,21).
What are the key properties of 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide?
2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86798571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).