2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile

C11H17N3S — CID 65253484

IUPAC2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
SMILESCC(NCCC(C)(C)C#N)c1nccs1
InChIInChI=1S/C11H17N3S/c1-9(10-14-6-7-15-10)13-5-4-11(2,3)8-12/h6-7,9,13H,4-5H2,1-3H3
InChIKeyPSYLGQXDKSJKRJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.73
Rot. Bonds5

About 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile

2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile (PubChem CID 65253484) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
PubChem CID65253484
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
SMILESCC(NCCC(C)(C)C#N)c1nccs1
InChIInChI=1S/C11H17N3S/c1-9(10-14-6-7-15-10)13-5-4-11(2,3)8-12/h6-7,9,13H,4-5H2,1-3H3
InChIKeyPSYLGQXDKSJKRJ-UHFFFAOYSA-N
XLogP2.73
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 116680140
2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79557977
2,2-dimethyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanenitrile
CID 65253845
2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 64993737
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64990454

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile (CID 65253484) is 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile is CC(NCCC(C)(C)C#N)c1nccs1.
What is the InChIKey of 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile?
The InChIKey is PSYLGQXDKSJKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-9(10-14-6-7-15-10)13-5-4-11(2,3)8-12/h6-7,9,13H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile?
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile has a molecular weight of 223.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile is sourced from PubChem (CID 65253484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).