carbonic acid;2,2-dimethyl-1,3-thiazolidine

C6H13NO3S — CID 67913382

IUPACcarbonic acid;2,2-dimethyl-1,3-thiazolidine
SMILESCC1(C)NCCS1.O=C(O)O
InChIInChI=1S/C5H11NS.CH2O3/c1-5(2)6-3-4-7-5;2-1(3)4/h6H,3-4H2,1-2H3;(H2,2,3,4)
InChIKeyMRVWFPJVDYDLAW-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.28
Rot. Bonds

About carbonic acid;2,2-dimethyl-1,3-thiazolidine

carbonic acid;2,2-dimethyl-1,3-thiazolidine (PubChem CID 67913382) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is carbonic acid;2,2-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Namecarbonic acid;2,2-dimethyl-1,3-thiazolidine
PubChem CID67913382
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Namecarbonic acid;2,2-dimethyl-1,3-thiazolidine
SMILESCC1(C)NCCS1.O=C(O)O
InChIInChI=1S/C5H11NS.CH2O3/c1-5(2)6-3-4-7-5;2-1(3)4/h6H,3-4H2,1-2H3;(H2,2,3,4)
InChIKeyMRVWFPJVDYDLAW-UHFFFAOYSA-N
XLogP1.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-thiazolidine-2-carboxamide
CID 518692
2,2-dimethylthiomorpholine-3-carboxylic acid
CID 13127852
(2R)-2-ethyl-2-methyl-1,3-thiazolidine
CID 129361769
(2S)-2-phenyl-1,3-thiazolidine-2-carboxylic acid
CID 174965162
methyl 2-propyl-1,3-thiazolidine-2-carboxylate
CID 54553440
methyl 3-methylthiomorpholine-3-carboxylate
CID 130922744
2-methylthiirane-2-carboxylic acid
CID 55300464
3-hydroxy-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 151227873
2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine
CID 130787816
carbonic acid;chromium
CID 87161202
ethyl 2-(2-propyl-1,3-thiazolidin-2-yl)acetate
CID 119090707
2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
CID 169318479

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,2-dimethyl-1,3-thiazolidine?
The IUPAC name of carbonic acid;2,2-dimethyl-1,3-thiazolidine (CID 67913382) is carbonic acid;2,2-dimethyl-1,3-thiazolidine.
What is the SMILES notation for carbonic acid;2,2-dimethyl-1,3-thiazolidine?
The canonical SMILES for carbonic acid;2,2-dimethyl-1,3-thiazolidine is CC1(C)NCCS1.O=C(O)O.
What is the InChIKey of carbonic acid;2,2-dimethyl-1,3-thiazolidine?
The InChIKey is MRVWFPJVDYDLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.CH2O3/c1-5(2)6-3-4-7-5;2-1(3)4/h6H,3-4H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2,2-dimethyl-1,3-thiazolidine?
carbonic acid;2,2-dimethyl-1,3-thiazolidine has a molecular weight of 179.24 g/mol, XLogP of 1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,2-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 67913382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).