5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine

C10H11FN4S — CID 139217769

IUPAC5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(C)c1nnc(Nc2ccc(F)cc2)s1
InChIInChI=1S/C10H11FN4S/c1-15(2)10-14-13-9(16-10)12-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKeyLKAPQEMJHOJPDM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.49
Rot. Bonds3

About 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine

5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 139217769) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID139217769
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(C)c1nnc(Nc2ccc(F)cc2)s1
InChIInChI=1S/C10H11FN4S/c1-15(2)10-14-13-9(16-10)12-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKeyLKAPQEMJHOJPDM-UHFFFAOYSA-N
XLogP2.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
5-Anilino-1,2,3,4-thiatriazole
CID 83115
Urea, N-phenyl-N'-1,3,4-thiadiazol-2-yl-
CID 100304
1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155539332
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 4881920
N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine
CID 2114383
5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 762828
N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
CID 718655
1-(4-Fluorophenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 660229
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
CID 2488470
1-(2-Fluorophenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 16016779

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine (CID 139217769) is 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine is CN(C)c1nnc(Nc2ccc(F)cc2)s1.
What is the InChIKey of 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is LKAPQEMJHOJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-15(2)10-14-13-9(16-10)12-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13).
What are the key properties of 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine?
5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 238.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 139217769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).