2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide

C13H20N4O3S — CID 175298534

IUPAC2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide
SMILESCC(C)(C)CC(CC(N)=O)(NC(=O)c1nccs1)C(N)=O
InChIInChI=1S/C13H20N4O3S/c1-12(2,3)7-13(11(15)20,6-8(14)18)17-9(19)10-16-4-5-21-10/h4-5H,6-7H2,1-3H3,(H2,14,18)(H2,15,20)(H,17,19)
InChIKeyMCFDXSISDIEBIF-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.41
Rot. Bonds6

About 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide

2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide (PubChem CID 175298534) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide
PubChem CID175298534
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide
SMILESCC(C)(C)CC(CC(N)=O)(NC(=O)c1nccs1)C(N)=O
InChIInChI=1S/C13H20N4O3S/c1-12(2,3)7-13(11(15)20,6-8(14)18)17-9(19)10-16-4-5-21-10/h4-5H,6-7H2,1-3H3,(H2,14,18)(H2,15,20)(H,17,19)
InChIKeyMCFDXSISDIEBIF-UHFFFAOYSA-N
XLogP0.41
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide (CID 175298534) is 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide is CC(C)(C)CC(CC(N)=O)(NC(=O)c1nccs1)C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide?
The InChIKey is MCFDXSISDIEBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-12(2,3)7-13(11(15)20,6-8(14)18)17-9(19)10-16-4-5-21-10/h4-5H,6-7H2,1-3H3,(H2,14,18)(H2,15,20)(H,17,19).
What are the key properties of 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide?
2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide has a molecular weight of 312.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-(1,3-thiazole-2-carbonylamino)butanediamide is sourced from PubChem (CID 175298534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).