N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine

C9H17N3S — CID 61020818

IUPACN-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCNCCCNc1nc(C)cs1
InChIInChI=1S/C9H17N3S/c1-3-10-5-4-6-11-9-12-8(2)7-13-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeySWNHMAKWEPSTJM-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine

N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 61020818) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID61020818
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCNCCCNc1nc(C)cs1
InChIInChI=1S/C9H17N3S/c1-3-10-5-4-6-11-9-12-8(2)7-13-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeySWNHMAKWEPSTJM-UHFFFAOYSA-N
XLogP1.86
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 106158680
N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
CID 83156277
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
4-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazol-2-amine
CID 131020952
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 54880424
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 113283361
N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
CID 61019786
N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine
CID 143219877

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (CID 61020818) is N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is CCNCCCNc1nc(C)cs1.
What is the InChIKey of N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is SWNHMAKWEPSTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-10-5-4-6-11-9-12-8(2)7-13-9/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 61020818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).