5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine

C8H8ClF2N5S — CID 171315924

IUPAC5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1c(Cl)c(C(F)F)nn1Cc1nnc(N)s1
InChIInChI=1S/C8H8ClF2N5S/c1-3-5(9)6(7(10)11)15-16(3)2-4-13-14-8(12)17-4/h7H,2H2,1H3,(H2,12,14)
InChIKeyFMDFWVTVXFNSLX-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.26
Rot. Bonds3

About 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine

5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 171315924) has the molecular formula C8H8ClF2N5S and a molecular weight of 279.70 g/mol. Its IUPAC name is 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID171315924
Molecular FormulaC8H8ClF2N5S
Molecular Weight279.70 g/mol
Exact Mass279.02
IUPAC Name5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1c(Cl)c(C(F)F)nn1Cc1nnc(N)s1
InChIInChI=1S/C8H8ClF2N5S/c1-3-5(9)6(7(10)11)15-16(3)2-4-13-14-8(12)17-4/h7H,2H2,1H3,(H2,12,14)
InChIKeyFMDFWVTVXFNSLX-UHFFFAOYSA-N
XLogP2.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 756792
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CID 4770126
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CID 125446015
CID 125446015
CID 40440623
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CID 40440624
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CID 45153913
CID 45153913
CID 125461567
CID 125461567
CID 125725477
CID 125725477
CID 125725515
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CID 132325540
CID 132325540

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 171315924) is 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is Cc1c(Cl)c(C(F)F)nn1Cc1nnc(N)s1.
What is the InChIKey of 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FMDFWVTVXFNSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N5S/c1-3-5(9)6(7(10)11)15-16(3)2-4-13-14-8(12)17-4/h7H,2H2,1H3,(H2,12,14).
What are the key properties of 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 279.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171315924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).