5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

C9H18N2OS — CID 11171688

IUPAC5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C1NC(C(N)=O)C(C)(C)S1
InChIInChI=1S/C9H18N2OS/c1-5(2)8-11-6(7(10)12)9(3,4)13-8/h5-6,8,11H,1-4H3,(H2,10,12)
InChIKeyVOUJSRKDOGAJSG-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.94
Rot. Bonds2

About 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 11171688) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID11171688
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C1NC(C(N)=O)C(C)(C)S1
InChIInChI=1S/C9H18N2OS/c1-5(2)8-11-6(7(10)12)9(3,4)13-8/h5-6,8,11H,1-4H3,(H2,10,12)
InChIKeyVOUJSRKDOGAJSG-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

H-D-Thz-Leu-Gly-NH2
CID 90675113
(2S)-2-[4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9877970
(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 11436159
H-Thz-Leu-Gly-NH2
CID 73356022
N-(butan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002788
N-butyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002789
N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002791
N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 54592552
N,N-dimethyl-2-((2-methylpropyl)amino)-4-(methylsulfanyl)butanamide hydrochloride
CID 165671529
2-[(2-Acetamido-4-methylsulfanylbutanoyl)amino]-3-methylbutanamide
CID 23275232
N-t-butyl-3-methyl-2-(2-oxo-tetrahydro-thiophen-3-ylamino)-butyramide
CID 59159381
2-(2-oxopyrrolidin-1-yl)-N-(thian-4-ylmethyl)butanamide
CID 75374709

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 11171688) is 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide is CC(C)C1NC(C(N)=O)C(C)(C)S1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is VOUJSRKDOGAJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-5(2)8-11-6(7(10)12)9(3,4)13-8/h5-6,8,11H,1-4H3,(H2,10,12).
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 11171688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).