5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine

C8H10BrN3S2 — CID 47068540

IUPAC5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESC=C(Br)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C8H10BrN3S2/c1-5(9)4-13-8-12-11-7(14-8)10-6-2-3-6/h6H,1-4H2,(H,10,11)
InChIKeyWFMSGASGVZAFHD-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.11
Rot. Bonds5

About 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine

5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 47068540) has the molecular formula C8H10BrN3S2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID47068540
Molecular FormulaC8H10BrN3S2
Molecular Weight292.23 g/mol
Exact Mass290.95
IUPAC Name5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESC=C(Br)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C8H10BrN3S2/c1-5(9)4-13-8-12-11-7(14-8)10-6-2-3-6/h6H,1-4H2,(H,10,11)
InChIKeyWFMSGASGVZAFHD-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 25352768
N-cyclohexyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47096016
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
CID 9378318
2-[[5-(oxan-4-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43610450
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8674648
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8674646
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 18194117
N-(4-acetamidophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674479
N-(2-cyanoethyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 25468183
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674760
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 2432010

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 47068540) is 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine is C=C(Br)CSc1nnc(NC2CC2)s1.
What is the InChIKey of 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WFMSGASGVZAFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3S2/c1-5(9)4-13-8-12-11-7(14-8)10-6-2-3-6/h6H,1-4H2,(H,10,11).
What are the key properties of 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 47068540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).