4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile

C15H17N3S — CID 61336305

IUPAC4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
SMILESCCC(N)(CC)c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C15H17N3S/c1-3-15(17,4-2)14-18-13(10-19-14)12-7-5-11(9-16)6-8-12/h5-8,10H,3-4,17H2,1-2H3
InChIKeyRTMATLIGCYEXOO-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.66
Rot. Bonds4

About 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 61336305) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID61336305
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
SMILESCCC(N)(CC)c1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C15H17N3S/c1-3-15(17,4-2)14-18-13(10-19-14)12-7-5-11(9-16)6-8-12/h5-8,10H,3-4,17H2,1-2H3
InChIKeyRTMATLIGCYEXOO-UHFFFAOYSA-N
XLogP3.66
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile (CID 61336305) is 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile is CCC(N)(CC)c1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is RTMATLIGCYEXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-15(17,4-2)14-18-13(10-19-14)12-7-5-11(9-16)6-8-12/h5-8,10H,3-4,17H2,1-2H3.
What are the key properties of 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 271.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 61336305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).