4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

C11H18N2OS — CID 59836573

IUPAC4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC(C)(C)CCC(=O)NCc1nccs1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)5-4-9(14)13-8-10-12-6-7-15-10/h6-7H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyDGVRJHDZPOEXNQ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.59
Rot. Bonds4

About 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide

4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (PubChem CID 59836573) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
PubChem CID59836573
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC(C)(C)CCC(=O)NCc1nccs1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)5-4-9(14)13-8-10-12-6-7-15-10/h6-7H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyDGVRJHDZPOEXNQ-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trichloro-3-methyl-N-(4,4,4-trichloro-3-methyl-1-thiazol-2-yl-butyl)butanamide
CID 494397
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-Ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370133
2-Methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97393149
Dysideathiazole
CID 101657548
N-[1-(1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 72012134
N,N-dimethyl-1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxamide
CID 72015186
1-{2-[Methyl(1,3-thiazol-2-ylmethyl)amino]ethyl}piperidin-2-one
CID 74248707
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630331
N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855
(2S)-2-(2,2-dimethylpropanoylamino)-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 122151537

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The IUPAC name of 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (CID 59836573) is 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The canonical SMILES for 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is CC(C)(C)CCC(=O)NCc1nccs1.
What is the InChIKey of 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The InChIKey is DGVRJHDZPOEXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)5-4-9(14)13-8-10-12-6-7-15-10/h6-7H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide has a molecular weight of 226.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 59836573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).