2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile

C11H13N5S2 — CID 45352873

IUPAC2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile
SMILESN#CCCC(C#N)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C11H13N5S2/c12-5-1-2-8(6-13)7-17-11-16-15-10(18-11)14-9-3-4-9/h8-9H,1-4,7H2,(H,14,15)
InChIKeyZTOPYTVMFTYEBT-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.65
Rot. Bonds7

About 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile (PubChem CID 45352873) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile.

Molecular Properties

Compound Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile
PubChem CID45352873
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile
SMILESN#CCCC(C#N)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C11H13N5S2/c12-5-1-2-8(6-13)7-17-11-16-15-10(18-11)14-9-3-4-9/h8-9H,1-4,7H2,(H,14,15)
InChIKeyZTOPYTVMFTYEBT-UHFFFAOYSA-N
XLogP2.65
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile?
The IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile (CID 45352873) is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile.
What is the SMILES notation for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile?
The canonical SMILES for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile is N#CCCC(C#N)CSc1nnc(NC2CC2)s1.
What is the InChIKey of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile?
The InChIKey is ZTOPYTVMFTYEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c12-5-1-2-8(6-13)7-17-11-16-15-10(18-11)14-9-3-4-9/h8-9H,1-4,7H2,(H,14,15).
What are the key properties of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile?
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile has a molecular weight of 279.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile is sourced from PubChem (CID 45352873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).