CID 177325547

C17H22F2N4OS — CID 177325547

IUPAC—
SMILES[CH2]CCN(CC[CH2])c1ccc(C(=O)Nc2nnc(C(C)(F)F)s2)cc1.[H][H]
InChIInChI=1S/C17H20F2N4OS.H2/c1-4-10-23(11-5-2)13-8-6-12(7-9-13)14(24)20-16-22-21-15(25-16)17(3,18)19;/h6-9H,1-2,4-5,10-11H2,3H3,(H,20,22,24);1H
InChIKeyZQISIISPISKCJP-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.40
Rot. Bonds8

About CID 177325547

CID 177325547 (PubChem CID 177325547) has the molecular formula C17H22F2N4OS and a molecular weight of 368.45 g/mol.

Molecular Properties

Compound NameCID 177325547
PubChem CID177325547
Molecular FormulaC17H22F2N4OS
Molecular Weight368.45 g/mol
Exact Mass368.15
IUPAC Name—
SMILES[CH2]CCN(CC[CH2])c1ccc(C(=O)Nc2nnc(C(C)(F)F)s2)cc1.[H][H]
InChIInChI=1S/C17H20F2N4OS.H2/c1-4-10-23(11-5-2)13-8-6-12(7-9-13)14(24)20-16-22-21-15(25-16)17(3,18)19;/h6-9H,1-2,4-5,10-11H2,3H3,(H,20,22,24);1H
InChIKeyZQISIISPISKCJP-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 177325548
CID 177325548
4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783251
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
4-(methylsulfonylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782405
N-[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 38782851
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
[4-[[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] acetate
CID 17320140
4-(1,3-dithiolan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38782402
4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153333
4-tert-butyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44791738
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45269218

Frequently Asked Questions

What is the IUPAC name of CID 177325547?
The IUPAC name of CID 177325547 (CID 177325547) is not available.
What is the SMILES notation for CID 177325547?
The canonical SMILES for CID 177325547 is [CH2]CCN(CC[CH2])c1ccc(C(=O)Nc2nnc(C(C)(F)F)s2)cc1.[H][H].
What is the InChIKey of CID 177325547?
The InChIKey is ZQISIISPISKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4OS.H2/c1-4-10-23(11-5-2)13-8-6-12(7-9-13)14(24)20-16-22-21-15(25-16)17(3,18)19;/h6-9H,1-2,4-5,10-11H2,3H3,(H,20,22,24);1H.
What are the key properties of CID 177325547?
CID 177325547 has a molecular weight of 368.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177325547 is sourced from PubChem (CID 177325547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).