3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide

C17H13F2N3OS2 — CID 59580977

IUPAC3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)c1cccc(SC(F)F)c1
InChIInChI=1S/C17H13F2N3OS2/c1-10-15(25-16(21-10)12-5-3-7-20-9-12)22-14(23)11-4-2-6-13(8-11)24-17(18)19/h2-9,17H,1H3,(H,22,23)
InChIKeyXCENYLGICQOWNX-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.08
Rot. Bonds5

About 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide

3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 59580977) has the molecular formula C17H13F2N3OS2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide
PubChem CID59580977
Molecular FormulaC17H13F2N3OS2
Molecular Weight377.44 g/mol
Exact Mass377.05
IUPAC Name3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)c1cccc(SC(F)F)c1
InChIInChI=1S/C17H13F2N3OS2/c1-10-15(25-16(21-10)12-5-3-7-20-9-12)22-14(23)11-4-2-6-13(8-11)24-17(18)19/h2-9,17H,1H3,(H,22,23)
InChIKeyXCENYLGICQOWNX-UHFFFAOYSA-N
XLogP5.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide
CID 126635303
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide
CID 59580781
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580446
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 70833052
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide (CID 59580977) is 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide is Cc1nc(-c2cccnc2)sc1NC(=O)c1cccc(SC(F)F)c1.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is XCENYLGICQOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS2/c1-10-15(25-16(21-10)12-5-3-7-20-9-12)22-14(23)11-4-2-6-13(8-11)24-17(18)19/h2-9,17H,1H3,(H,22,23).
What are the key properties of 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide?
3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 59580977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).