3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile

C10H17N5S — CID 79765401

IUPAC3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)Cc1cnc(NN)s1
InChIInChI=1S/C10H17N5S/c1-8(2)15(5-3-4-11)7-9-6-13-10(14-12)16-9/h6,8H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyXXFCMIVICVABIZ-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.55
Rot. Bonds6

About 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile (PubChem CID 79765401) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile
PubChem CID79765401
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)Cc1cnc(NN)s1
InChIInChI=1S/C10H17N5S/c1-8(2)15(5-3-4-11)7-9-6-13-10(14-12)16-9/h6,8H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyXXFCMIVICVABIZ-UHFFFAOYSA-N
XLogP1.55
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile (CID 79765401) is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)Cc1cnc(NN)s1.
What is the InChIKey of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile?
The InChIKey is XXFCMIVICVABIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-8(2)15(5-3-4-11)7-9-6-13-10(14-12)16-9/h6,8H,3,5,7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile?
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile has a molecular weight of 239.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 79765401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).