N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide

C9H14N2OS — CID 4606866

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)C)sc1C
InChIInChI=1S/C9H14N2OS/c1-5(2)8(12)11-9-10-6(3)7(4)13-9/h5H,1-4H3,(H,10,11,12)
InChIKeyMPKKPYZVIKCVDW-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.35
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 4606866) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID4606866
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)C)sc1C
InChIInChI=1S/C9H14N2OS/c1-5(2)8(12)11-9-10-6(3)7(4)13-9/h5H,1-4H3,(H,10,11,12)
InChIKeyMPKKPYZVIKCVDW-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide (CID 4606866) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide is Cc1nc(NC(=O)C(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is MPKKPYZVIKCVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-5(2)8(12)11-9-10-6(3)7(4)13-9/h5H,1-4H3,(H,10,11,12).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 198.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 4606866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).