2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile

C10H15N3S — CID 131021040

IUPAC2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCc1sc(C(C)(C)C#N)nc1C(C)N
InChIInChI=1S/C10H15N3S/c1-6(12)8-7(2)14-9(13-8)10(3,4)5-11/h6H,12H2,1-4H3
InChIKeyNHKSALWOEYTFJP-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.27
Rot. Bonds2

About 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile

2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile (PubChem CID 131021040) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile
PubChem CID131021040
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCc1sc(C(C)(C)C#N)nc1C(C)N
InChIInChI=1S/C10H15N3S/c1-6(12)8-7(2)14-9(13-8)10(3,4)5-11/h6H,12H2,1-4H3
InChIKeyNHKSALWOEYTFJP-UHFFFAOYSA-N
XLogP2.27
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine
CID 127003453
2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097279
2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097424
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
CID 116865207
2-amino-2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 103097346
2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylpropanenitrile
CID 116886393
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097202
2-[4-(1-amino-3-methylbutan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097458
2-[4-[(1R)-1-aminoethyl]phenyl]-2-methylpropanenitrile
CID 58298494
2-[4-[(1S)-1-aminoethyl]-3-methylphenyl]-2-methylpropanenitrile
CID 58298501
2-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanenitrile
CID 45077256
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
CID 61334818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile (CID 131021040) is 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile is Cc1sc(C(C)(C)C#N)nc1C(C)N.
What is the InChIKey of 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The InChIKey is NHKSALWOEYTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(12)8-7(2)14-9(13-8)10(3,4)5-11/h6H,12H2,1-4H3.
What are the key properties of 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile?
2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile has a molecular weight of 209.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 131021040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).