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

C10H17N3OS — CID 106096010

IUPAC3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCc1ncsc1CNC(C)(C)CC(N)=O
InChIInChI=1S/C10H17N3OS/c1-7-8(15-6-12-7)5-13-10(2,3)4-9(11)14/h6,13H,4-5H2,1-3H3,(H2,11,14)
InChIKeyXYLLGIABGRXINF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.20
Rot. Bonds5

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

3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide (PubChem CID 106096010) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
PubChem CID106096010
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCc1ncsc1CNC(C)(C)CC(N)=O
InChIInChI=1S/C10H17N3OS/c1-7-8(15-6-12-7)5-13-10(2,3)4-9(11)14/h6,13H,4-5H2,1-3H3,(H2,11,14)
InChIKeyXYLLGIABGRXINF-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 115655890
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
CID 106096039
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 103699284
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63284243
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 63284109
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The IUPAC name of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide (CID 106096010) is 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide.
What is the SMILES notation for 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The canonical SMILES for 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide is Cc1ncsc1CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The InChIKey is XYLLGIABGRXINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-8(15-6-12-7)5-13-10(2,3)4-9(11)14/h6,13H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide is sourced from PubChem (CID 106096010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).