(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide

C14H26N2O3S — CID 95206466

IUPAC(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)OCCC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O3S/c1-10(2)19-7-6-12(17)16-9-20-8-11(16)13(18)15-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m0/s1
InChIKeyVWQKGTOEKXBGJH-NSHDSACASA-N
MW302.44 g/mol
LogP1.62
Rot. Bonds5

About (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95206466) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95206466
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)OCCC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O3S/c1-10(2)19-7-6-12(17)16-9-20-8-11(16)13(18)15-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m0/s1
InChIKeyVWQKGTOEKXBGJH-NSHDSACASA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95206484
2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119187544
N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 60618098
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
(4S)-N-tert-butyl-3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 52846319
N-(cyclopropylmethyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 60608947
(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide
CID 10038310
(4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95309616
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257

Frequently Asked Questions

What is the IUPAC name of (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide (CID 95206466) is (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide is CC(C)OCCC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VWQKGTOEKXBGJH-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-10(2)19-7-6-12(17)16-9-20-8-11(16)13(18)15-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95206466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).