N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide

C13H23N3OS — CID 119890059

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C13H23N3OS/c1-9-10(2)18-12(15-9)13(3,4)16-11(17)7-6-8-14-5/h14H,6-8H2,1-5H3,(H,16,17)
InChIKeyQGUJNFSGQZMVMH-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.11
Rot. Bonds6

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide (PubChem CID 119890059) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
PubChem CID119890059
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C13H23N3OS/c1-9-10(2)18-12(15-9)13(3,4)16-11(17)7-6-8-14-5/h14H,6-8H2,1-5H3,(H,16,17)
InChIKeyQGUJNFSGQZMVMH-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide (CID 119890059) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)NC(C)(C)c1nc(C)c(C)s1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide?
The InChIKey is QGUJNFSGQZMVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9-10(2)18-12(15-9)13(3,4)16-11(17)7-6-8-14-5/h14H,6-8H2,1-5H3,(H,16,17).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide has a molecular weight of 269.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119890059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).