2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile

C10H15N3S — CID 62647813

IUPAC2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
SMILESCc1ncsc1C(C)NCC(C)C#N
InChIInChI=1S/C10H15N3S/c1-7(4-11)5-12-8(2)10-9(3)13-6-14-10/h6-8,12H,5H2,1-3H3
InChIKeyVBDCKHGCPATHJW-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile

2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile (PubChem CID 62647813) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
PubChem CID62647813
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
SMILESCc1ncsc1C(C)NCC(C)C#N
InChIInChI=1S/C10H15N3S/c1-7(4-11)5-12-8(2)10-9(3)13-6-14-10/h6-8,12H,5H2,1-3H3
InChIKeyVBDCKHGCPATHJW-UHFFFAOYSA-N
XLogP2.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238630
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 80528686
1-(4-methyl-1,3-thiazol-5-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719853
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile (CID 62647813) is 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile is Cc1ncsc1C(C)NCC(C)C#N.
What is the InChIKey of 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile?
The InChIKey is VBDCKHGCPATHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(4-11)5-12-8(2)10-9(3)13-6-14-10/h6-8,12H,5H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile?
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile has a molecular weight of 209.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile is sourced from PubChem (CID 62647813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).