3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine

C9H17N3S — CID 164648811

IUPAC3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
SMILESCc1csc(NCCC(C)(C)N)n1
InChIInChI=1S/C9H17N3S/c1-7-6-13-8(12-7)11-5-4-9(2,3)10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyFIGCFAHUMPIFGR-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.99
Rot. Bonds4

About 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine

3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine (PubChem CID 164648811) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
PubChem CID164648811
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
SMILESCc1csc(NCCC(C)(C)N)n1
InChIInChI=1S/C9H17N3S/c1-7-6-13-8(12-7)11-5-4-9(2,3)10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyFIGCFAHUMPIFGR-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 61020818
4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
CID 131020952
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
N-[2-(2-aminophenoxy)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 54915064
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 113283361
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 106158680
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 43500206
N-(2-but-3-enoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 106404911
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106404327
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine (CID 164648811) is 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine is Cc1csc(NCCC(C)(C)N)n1.
What is the InChIKey of 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine?
The InChIKey is FIGCFAHUMPIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7-6-13-8(12-7)11-5-4-9(2,3)10/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine?
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine is sourced from PubChem (CID 164648811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).