2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide

C14H10F2N2O2S — CID 82798665

IUPAC2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ncc(C#CCO)s2)c1F
InChIInChI=1S/C14H10F2N2O2S/c1-8-4-5-10(15)11(12(8)16)13(20)18-14-17-7-9(21-14)3-2-6-19/h4-5,7,19H,6H2,1H3,(H,17,18,20)
InChIKeyKHSLQPWCFPZDDU-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.33
Rot. Bonds2

About 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide

2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide (PubChem CID 82798665) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
PubChem CID82798665
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ncc(C#CCO)s2)c1F
InChIInChI=1S/C14H10F2N2O2S/c1-8-4-5-10(15)11(12(8)16)13(20)18-14-17-7-9(21-14)3-2-6-19/h4-5,7,19H,6H2,1H3,(H,17,18,20)
InChIKeyKHSLQPWCFPZDDU-UHFFFAOYSA-N
XLogP2.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964
5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801881
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82815247
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 60801885
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-fluoro-5-methylbenzamide
CID 62510665
1-(2,5-dichlorophenyl)-3-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]urea
CID 60803434
3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
CID 104671780
5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 60814249
3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801542

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide (CID 82798665) is 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ncc(C#CCO)s2)c1F.
What is the InChIKey of 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The InChIKey is KHSLQPWCFPZDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-8-4-5-10(15)11(12(8)16)13(20)18-14-17-7-9(21-14)3-2-6-19/h4-5,7,19H,6H2,1H3,(H,17,18,20).
What are the key properties of 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide has a molecular weight of 308.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 82798665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).