3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one

C7H12N2OS — CID 115749761

IUPAC3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one
SMILESCN(C)CCn1ccsc1=O
InChIInChI=1S/C7H12N2OS/c1-8(2)3-4-9-5-6-11-7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyYNBSZNMKXFKJQB-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.47
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one

3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 115749761) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one
PubChem CID115749761
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one
SMILESCN(C)CCn1ccsc1=O
InChIInChI=1S/C7H12N2OS/c1-8(2)3-4-9-5-6-11-7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyYNBSZNMKXFKJQB-UHFFFAOYSA-N
XLogP0.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3H-thiazol-2-one
CID 12743050
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-(2-Aminoethyl)-2,3-dihydro-1,3-thiazol-2-one
CID 63312349
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
3-[2-(Diethylamino)ethyl]-1,3-thiazol-2-one
CID 104693541
3-[2-(Dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
CID 123700873
N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
CID 154261691
3-(Dimethylamino)-1,3-thiazol-2-one
CID 167112475
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-Butyl-1,3-thiazol-2-one
CID 13828889
2-(2-Oxo-1,3-thiazol-3-yl)acetonitrile
CID 63312353

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one (CID 115749761) is 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one is CN(C)CCn1ccsc1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is YNBSZNMKXFKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-8(2)3-4-9-5-6-11-7(9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one?
3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115749761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).