[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol

C12H20N2O3S2 — CID 55117241

IUPAC[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)C2CCS(=O)(=O)C2)sc1CO
InChIInChI=1S/C12H20N2O3S2/c1-3-4-10-11(7-15)18-12(13-10)14(2)9-5-6-19(16,17)8-9/h9,15H,3-8H2,1-2H3
InChIKeySJUWNLRPPHDUDN-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.21
Rot. Bonds5

About [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117241) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID55117241
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)C2CCS(=O)(=O)C2)sc1CO
InChIInChI=1S/C12H20N2O3S2/c1-3-4-10-11(7-15)18-12(13-10)14(2)9-5-6-19(16,17)8-9/h9,15H,3-8H2,1-2H3
InChIKeySJUWNLRPPHDUDN-UHFFFAOYSA-N
XLogP1.21
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765116
4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917935
[2-[methyl-(1-methylpiperidin-3-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779327
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977204
[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780694
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117430
4-chloro-2-[(1,1-dioxothiolan-3-yl)-methylamino]-1,3-thiazole-5-carbaldehyde
CID 80687059
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778308
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750457
[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 63686849
2-[(1,1-dioxothiolan-3-yl)-methylamino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750791

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 55117241) is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(C)C2CCS(=O)(=O)C2)sc1CO.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is SJUWNLRPPHDUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-4-10-11(7-15)18-12(13-10)14(2)9-5-6-19(16,17)8-9/h9,15H,3-8H2,1-2H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 304.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).