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

C11H19N3OS — CID 76897490

IUPAC2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncc(CNC(=O)C(N)C(C)(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-7-13-5-8(16-7)6-14-10(15)9(12)11(2,3)4/h5,9H,6,12H2,1-4H3,(H,14,15)
InChIKeyTXIIYIDDNSOYEF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.44
Rot. Bonds3

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

2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 76897490) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID76897490
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncc(CNC(=O)C(N)C(C)(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-7-13-5-8(16-7)6-14-10(15)9(12)11(2,3)4/h5,9H,6,12H2,1-4H3,(H,14,15)
InChIKeyTXIIYIDDNSOYEF-UHFFFAOYSA-N
XLogP1.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
ethyl 3,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]butanoate
CID 116537892
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
3,3-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 112555963
2-amino-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280646
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 61165377
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 76897490) is 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is Cc1ncc(CNC(=O)C(N)C(C)(C)C)s1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is TXIIYIDDNSOYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-13-5-8(16-7)6-14-10(15)9(12)11(2,3)4/h5,9H,6,12H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 241.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 76897490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).