1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone

C12H21N3OS — CID 103191868

IUPAC1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone
SMILESCCN(c1ncc(C(C)=O)s1)C(C)CN(C)C
InChIInChI=1S/C12H21N3OS/c1-6-15(9(2)8-14(4)5)12-13-7-11(17-12)10(3)16/h7,9H,6,8H2,1-5H3
InChIKeyAODNCNXPLTVOOJ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.12
Rot. Bonds6

About 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone

1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone (PubChem CID 103191868) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone
PubChem CID103191868
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone
SMILESCCN(c1ncc(C(C)=O)s1)C(C)CN(C)C
InChIInChI=1S/C12H21N3OS/c1-6-15(9(2)8-14(4)5)12-13-7-11(17-12)10(3)16/h7,9H,6,8H2,1-5H3
InChIKeyAODNCNXPLTVOOJ-UHFFFAOYSA-N
XLogP2.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191881
1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 63965723
1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone
CID 114011277
1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 63727395
1-[2-(N-ethyl-4-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 55113565
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 55113709
2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192089
2-[[5-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 103190821
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 80572816
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
CID 103192406

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone (CID 103191868) is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone is CCN(c1ncc(C(C)=O)s1)C(C)CN(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is AODNCNXPLTVOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-6-15(9(2)8-14(4)5)12-13-7-11(17-12)10(3)16/h7,9H,6,8H2,1-5H3.
What are the key properties of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone?
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 255.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 103191868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).