N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine

C9H18N4S2 — CID 142015939

IUPACN',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCNSc1sc(NCCN(C)C)nc1C
InChIInChI=1S/C9H18N4S2/c1-7-8(15-10-2)14-9(12-7)11-5-6-13(3)4/h10H,5-6H2,1-4H3,(H,11,12)
InChIKeyKYEABIWCCLSQQL-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.65
Rot. Bonds6

About N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine (PubChem CID 142015939) has the molecular formula C9H18N4S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
PubChem CID142015939
Molecular FormulaC9H18N4S2
Molecular Weight246.40 g/mol
Exact Mass246.10
IUPAC NameN',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCNSc1sc(NCCN(C)C)nc1C
InChIInChI=1S/C9H18N4S2/c1-7-8(15-10-2)14-9(12-7)11-5-6-13(3)4/h10H,5-6H2,1-4H3,(H,11,12)
InChIKeyKYEABIWCCLSQQL-UHFFFAOYSA-N
XLogP1.65
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine (CID 142015939) is N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine is CNSc1sc(NCCN(C)C)nc1C.
What is the InChIKey of N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The InChIKey is KYEABIWCCLSQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-7-8(15-10-2)14-9(12-7)11-5-6-13(3)4/h10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 142015939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).