1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine

C12H20N2O2S2 — CID 105171707

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
SMILESCc1nc(CC(N)CC2CCS(=O)(=O)C2)sc1C
InChIInChI=1S/C12H20N2O2S2/c1-8-9(2)17-12(14-8)6-11(13)5-10-3-4-18(15,16)7-10/h10-11H,3-7,13H2,1-2H3
InChIKeyAIYPQVMRZJERFE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.45
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine (PubChem CID 105171707) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
PubChem CID105171707
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
SMILESCc1nc(CC(N)CC2CCS(=O)(=O)C2)sc1C
InChIInChI=1S/C12H20N2O2S2/c1-8-9(2)17-12(14-8)6-11(13)5-10-3-4-18(15,16)7-10/h10-11H,3-7,13H2,1-2H3
InChIKeyAIYPQVMRZJERFE-UHFFFAOYSA-N
XLogP1.45
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169254
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105120796
1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168878
1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 105160379
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7222640
1-(1,1-dioxothiolan-3-yl)dodecan-2-amine
CID 105138148
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107411
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090109
1-(2,3-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105137706
(1,1-dioxothiolan-3-yl)methyl 4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylate
CID 167990518
2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 105164207
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine (CID 105171707) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine is Cc1nc(CC(N)CC2CCS(=O)(=O)C2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
The InChIKey is AIYPQVMRZJERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-8-9(2)17-12(14-8)6-11(13)5-10-3-4-18(15,16)7-10/h10-11H,3-7,13H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine is sourced from PubChem (CID 105171707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).