N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine

C9H17N3S2 — CID 19108559

IUPACN',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine
SMILESCSC(CNCN(C)C)c1nccs1
InChIInChI=1S/C9H17N3S2/c1-12(2)7-10-6-8(13-3)9-11-4-5-14-9/h4-5,8,10H,6-7H2,1-3H3
InChIKeyDEYFDORXVCXTTH-UHFFFAOYSA-N
MW231.39 g/mol
LogP1.66
Rot. Bonds6

About N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine

N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine (PubChem CID 19108559) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine
PubChem CID19108559
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine
SMILESCSC(CNCN(C)C)c1nccs1
InChIInChI=1S/C9H17N3S2/c1-12(2)7-10-6-8(13-3)9-11-4-5-14-9/h4-5,8,10H,6-7H2,1-3H3
InChIKeyDEYFDORXVCXTTH-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine 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',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine?
The IUPAC name of N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine (CID 19108559) is N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine?
The canonical SMILES for N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine is CSC(CNCN(C)C)c1nccs1.
What is the InChIKey of N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine?
The InChIKey is DEYFDORXVCXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-12(2)7-10-6-8(13-3)9-11-4-5-14-9/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine?
N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine has a molecular weight of 231.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine is sourced from PubChem (CID 19108559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).