5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C12H23N3S2 — CID 114237921

IUPAC5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CCCSC)s1
InChIInChI=1S/C12H23N3S2/c1-4-6-13-12-14-9-11(17-12)10-15(2)7-5-8-16-3/h9H,4-8,10H2,1-3H3,(H,13,14)
InChIKeyMTWXFRHUOIBGDM-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.15
Rot. Bonds9

About 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 114237921) has the molecular formula C12H23N3S2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID114237921
Molecular FormulaC12H23N3S2
Molecular Weight273.47 g/mol
Exact Mass273.13
IUPAC Name5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CCCSC)s1
InChIInChI=1S/C12H23N3S2/c1-4-6-13-12-14-9-11(17-12)10-15(2)7-5-8-16-3/h9H,4-8,10H2,1-3H3,(H,13,14)
InChIKeyMTWXFRHUOIBGDM-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine 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

5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
N,5-dimethylthiazol-2-amine
CID 817028
N,5-dimethyl-1,3-thiazol-2-amine hydrochloride
CID 137971635
N-cyano-N'-methyl-N''-(2-((2-amino-5-thiazolyl)methylthio)ethyl)guanidine
CID 149370
2-(diethylamino)-N-[tris(dimethylamino)-lambda5-phosphanylidene]-1,3-thiazole-5-carbothioamide
CID 5112064
N-[5-(diethylaminomethyl)-1,3-thiazol-2-yl]acetamide
CID 22170819
N,N-diethyl-5-methyl-1,3-thiazol-2-amine
CID 59034214
N-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 59190850
1-Methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea
CID 119091478
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55111873

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 114237921) is 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(C)CCCSC)s1.
What is the InChIKey of 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is MTWXFRHUOIBGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S2/c1-4-6-13-12-14-9-11(17-12)10-15(2)7-5-8-16-3/h9H,4-8,10H2,1-3H3,(H,13,14).
What are the key properties of 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 273.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114237921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).