3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

C11H18N2OS — CID 86825746

IUPAC3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncc(CNC(=O)CC(C)(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-8-12-6-9(15-8)7-13-10(14)5-11(2,3)4/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeyBMCVMYUWMFZWRR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.50
Rot. Bonds3

About 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 86825746) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID86825746
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncc(CNC(=O)CC(C)(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-8-12-6-9(15-8)7-13-10(14)5-11(2,3)4/h6H,5,7H2,1-4H3,(H,13,14)
InChIKeyBMCVMYUWMFZWRR-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
2-amino-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280646
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86836135
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 86825746) is 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is Cc1ncc(CNC(=O)CC(C)(C)C)s1.
What is the InChIKey of 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is BMCVMYUWMFZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-12-6-9(15-8)7-13-10(14)5-11(2,3)4/h6H,5,7H2,1-4H3,(H,13,14).
What are the key properties of 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 226.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 86825746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).