3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide

C10H17N3OS — CID 103699284

IUPAC3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCc1ncsc1CNC(C(N)=O)C(C)C
InChIInChI=1S/C10H17N3OS/c1-6(2)9(10(11)14)12-4-8-7(3)13-5-15-8/h5-6,9,12H,4H2,1-3H3,(H2,11,14)
InChIKeyIZQBBRPCZHZNIK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.05
Rot. Bonds5

About 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide

3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide (PubChem CID 103699284) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
PubChem CID103699284
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCc1ncsc1CNC(C(N)=O)C(C)C
InChIInChI=1S/C10H17N3OS/c1-6(2)9(10(11)14)12-4-8-7(3)13-5-15-8/h5-6,9,12H,4H2,1-3H3,(H2,11,14)
InChIKeyIZQBBRPCZHZNIK-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
CID 74243450
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propanamide
CID 103107651
2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63283874
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
tert-butyl N-[3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]carbamate
CID 107253949
2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropanoic acid
CID 114898424
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 106096010
5-amino-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 82012439

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The IUPAC name of 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide (CID 103699284) is 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The canonical SMILES for 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide is Cc1ncsc1CNC(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The InChIKey is IZQBBRPCZHZNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)9(10(11)14)12-4-8-7(3)13-5-15-8/h5-6,9,12H,4H2,1-3H3,(H2,11,14).
What are the key properties of 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide is sourced from PubChem (CID 103699284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).