N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

C11H16N2OS — CID 60741010

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)9(14)13-10-12-8(6-15-10)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeySNSVMMXFYJPMSF-UHFFFAOYSA-N
MW224.33 g/mol
LogP3.01
Rot. Bonds2

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 60741010) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID60741010
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)9(14)13-10-12-8(6-15-10)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeySNSVMMXFYJPMSF-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide (CID 60741010) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is SNSVMMXFYJPMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2,3)9(14)13-10-12-8(6-15-10)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 224.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 60741010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).