5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H7ClFN5S2 — CID 79075270

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2nc(Cl)ncc2F)s1
InChIInChI=1S/C8H7ClFN5S2/c1-15(2)7-13-14-8(17-7)16-5-4(10)3-11-6(9)12-5/h3H,1-2H3
InChIKeyCMGCITCBHBAVHC-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.34
Rot. Bonds3

About 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 79075270) has the molecular formula C8H7ClFN5S2 and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID79075270
Molecular FormulaC8H7ClFN5S2
Molecular Weight291.76 g/mol
Exact Mass290.98
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2nc(Cl)ncc2F)s1
InChIInChI=1S/C8H7ClFN5S2/c1-15(2)7-13-14-8(17-7)16-5-4(10)3-11-6(9)12-5/h3H,1-2H3
InChIKeyCMGCITCBHBAVHC-UHFFFAOYSA-N
XLogP2.34
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 79075270) is 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2nc(Cl)ncc2F)s1.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CMGCITCBHBAVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5S2/c1-15(2)7-13-14-8(17-7)16-5-4(10)3-11-6(9)12-5/h3H,1-2H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 291.76 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79075270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).