3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

C10H16N2OS — CID 23613014

IUPAC3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)CC(C)C)cs1
InChIInChI=1S/C10H16N2OS/c1-7(2)4-10(13)11-5-9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyMVPSJUMKDMEDOX-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.11
Rot. Bonds4

About 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 23613014) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID23613014
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)CC(C)C)cs1
InChIInChI=1S/C10H16N2OS/c1-7(2)4-10(13)11-5-9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyMVPSJUMKDMEDOX-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (CID 23613014) is 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is Cc1nc(CNC(=O)CC(C)C)cs1.
What is the InChIKey of 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is MVPSJUMKDMEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)4-10(13)11-5-9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 212.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 23613014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).