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

C10H17N3OS — CID 103814782

IUPAC3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)CC(C)(C)N)s1
InChIInChI=1S/C10H17N3OS/c1-7-5-13-9(15-7)6-12-8(14)4-10(2,3)11/h5H,4,6,11H2,1-3H3,(H,12,14)
InChIKeyVFOGPYBQJAAIRE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.20
Rot. Bonds4

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

3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide (PubChem CID 103814782) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
PubChem CID103814782
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
SMILESCc1cnc(CNC(=O)CC(C)(C)N)s1
InChIInChI=1S/C10H17N3OS/c1-7-5-13-9(15-7)6-12-8(14)4-10(2,3)11/h5H,4,6,11H2,1-3H3,(H,12,14)
InChIKeyVFOGPYBQJAAIRE-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 103814824
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97008333
1-(3,3-dimethylbutan-2-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71868255
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
2-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64677668

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide (CID 103814782) is 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide is Cc1cnc(CNC(=O)CC(C)(C)N)s1.
What is the InChIKey of 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
The InChIKey is VFOGPYBQJAAIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-5-13-9(15-7)6-12-8(14)4-10(2,3)11/h5H,4,6,11H2,1-3H3,(H,12,14).
What are the key properties of 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide?
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 103814782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).