3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide

C11H18N4O2S — CID 134096888

IUPAC3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCN(C)C(=O)Nc1snc(C(C)(C)C)c1C(N)=O
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)7-6(8(12)16)9(18-14-7)13-10(17)15(4)5/h1-5H3,(H2,12,16)(H,13,17)
InChIKeyXKFRDRDSFRSQQI-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.63
Rot. Bonds2

About 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide

3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 134096888) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID134096888
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCN(C)C(=O)Nc1snc(C(C)(C)C)c1C(N)=O
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)7-6(8(12)16)9(18-14-7)13-10(17)15(4)5/h1-5H3,(H2,12,16)(H,13,17)
InChIKeyXKFRDRDSFRSQQI-UHFFFAOYSA-N
XLogP1.63
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 134096888) is 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide is CN(C)C(=O)Nc1snc(C(C)(C)C)c1C(N)=O.
What is the InChIKey of 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is XKFRDRDSFRSQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,3)7-6(8(12)16)9(18-14-7)13-10(17)15(4)5/h1-5H3,(H2,12,16)(H,13,17).
What are the key properties of 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).