2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile

C12H19N3S — CID 82427622

IUPAC2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCN(CC)CCc1nc(C)c(CC#N)s1
InChIInChI=1S/C12H19N3S/c1-4-15(5-2)9-7-12-14-10(3)11(16-12)6-8-13/h4-7,9H2,1-3H3
InChIKeyNCUZMONFNIZMAO-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.40
Rot. Bonds6

About 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile

2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82427622) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
PubChem CID82427622
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCN(CC)CCc1nc(C)c(CC#N)s1
InChIInChI=1S/C12H19N3S/c1-4-15(5-2)9-7-12-14-10(3)11(16-12)6-8-13/h4-7,9H2,1-3H3
InChIKeyNCUZMONFNIZMAO-UHFFFAOYSA-N
XLogP2.40
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62403200
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
CID 82668899
N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 82193737
1-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287596
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
2-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441464
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433104
2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161161
2-[2-[(2-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426152
2-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426179

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile (CID 82427622) is 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile is CCN(CC)CCc1nc(C)c(CC#N)s1.
What is the InChIKey of 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is NCUZMONFNIZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-4-15(5-2)9-7-12-14-10(3)11(16-12)6-8-13/h4-7,9H2,1-3H3.
What are the key properties of 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile?
2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 237.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82427622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).