N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

C10H16N2OS — CID 63821767

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCCC(=O)N(C)Cc1scnc1C
InChIInChI=1S/C10H16N2OS/c1-4-5-10(13)12(3)6-9-8(2)11-7-14-9/h7H,4-6H2,1-3H3
InChIKeyHQAKGKOBHZUQHT-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 63821767) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID63821767
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCCC(=O)N(C)Cc1scnc1C
InChIInChI=1S/C10H16N2OS/c1-4-5-10(13)12(3)6-9-8(2)11-7-14-9/h7H,4-6H2,1-3H3
InChIKeyHQAKGKOBHZUQHT-UHFFFAOYSA-N
XLogP2.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 63821767) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is CCCC(=O)N(C)Cc1scnc1C.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is HQAKGKOBHZUQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-10(13)12(3)6-9-8(2)11-7-14-9/h7H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 212.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 63821767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).