3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile

C10H16N4OS — CID 10060204

IUPAC3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSCN1C(=O)CN1CCCCN1
InChIInChI=1S/C10H16N4OS/c11-5-9-7-16-8-14(9)10(15)6-13-4-2-1-3-12-13/h9,12H,1-4,6-8H2
InChIKeyOROAKOCALBRHLQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.01
Rot. Bonds2

About 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile

3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile (PubChem CID 10060204) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile
PubChem CID10060204
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSCN1C(=O)CN1CCCCN1
InChIInChI=1S/C10H16N4OS/c11-5-9-7-16-8-14(9)10(15)6-13-4-2-1-3-12-13/h9,12H,1-4,6-8H2
InChIKeyOROAKOCALBRHLQ-UHFFFAOYSA-N
XLogP0.01
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile (CID 10060204) is 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile is N#CC1CSCN1C(=O)CN1CCCCN1.
What is the InChIKey of 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile?
The InChIKey is OROAKOCALBRHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-5-9-7-16-8-14(9)10(15)6-13-4-2-1-3-12-13/h9,12H,1-4,6-8H2.
What are the key properties of 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile?
3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diazinan-1-yl)acetyl]-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 10060204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).