N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

C14H27N3O2S — CID 119498502

IUPACN-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(N)CCNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H27N3O2S/c1-10(15)5-6-16-13(19)11-8-20-9-17(11)12(18)7-14(2,3)4/h10-11H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyHDLNAOABKMKISV-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.18
Rot. Bonds5

About N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119498502) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119498502
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(N)CCNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H27N3O2S/c1-10(15)5-6-16-13(19)11-8-20-9-17(11)12(18)7-14(2,3)4/h10-11H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyHDLNAOABKMKISV-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (CID 119498502) is N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is CC(N)CCNC(=O)C1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HDLNAOABKMKISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-10(15)5-6-16-13(19)11-8-20-9-17(11)12(18)7-14(2,3)4/h10-11H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119498502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).