3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile

C10H15N3S — CID 65169523

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile
SMILESCc1nc(N(C)CC(C)C#N)sc1C
InChIInChI=1S/C10H15N3S/c1-7(5-11)6-13(4)10-12-8(2)9(3)14-10/h7H,6H2,1-4H3
InChIKeyLCQIBHDEARYPHB-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.36
Rot. Bonds3

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile

3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile (PubChem CID 65169523) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile
PubChem CID65169523
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile
SMILESCc1nc(N(C)CC(C)C#N)sc1C
InChIInChI=1S/C10H15N3S/c1-7(5-11)6-13(4)10-12-8(2)9(3)14-10/h7H,6H2,1-4H3
InChIKeyLCQIBHDEARYPHB-UHFFFAOYSA-N
XLogP2.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 65272261
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
ethyl 5-acetyl-2-[2-cyanopropyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 107377423
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 103326383
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylpropanamide
CID 110752895
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750586
N-(2-chloroethyl)-4,5-dimethyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 65169037
3-[4-(dimethylamino)-N-methylanilino]-2-methylpropanenitrile
CID 82113965
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197
3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
CID 130532582

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile (CID 65169523) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile is Cc1nc(N(C)CC(C)C#N)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile?
The InChIKey is LCQIBHDEARYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(5-11)6-13(4)10-12-8(2)9(3)14-10/h7H,6H2,1-4H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile has a molecular weight of 209.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 65169523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).