N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

C8H15N3S — CID 21021493

IUPACN-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESCNCCCNCc1nccs1
InChIInChI=1S/C8H15N3S/c1-9-3-2-4-10-7-8-11-5-6-12-8/h5-6,9-10H,2-4,7H2,1H3
InChIKeyAXIPCPPGZFRNHW-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.84
Rot. Bonds6

About N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (PubChem CID 21021493) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
PubChem CID21021493
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESCNCCCNCc1nccs1
InChIInChI=1S/C8H15N3S/c1-9-3-2-4-10-7-8-11-5-6-12-8/h5-6,9-10H,2-4,7H2,1H3
InChIKeyAXIPCPPGZFRNHW-UHFFFAOYSA-N
XLogP0.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.84
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

6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
3-methylsulfinyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 115711563
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 55248695

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (CID 21021493) is N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is CNCCCNCc1nccs1.
What is the InChIKey of N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The InChIKey is AXIPCPPGZFRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-9-3-2-4-10-7-8-11-5-6-12-8/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine has a molecular weight of 185.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 21021493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).