N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine

C7H13N3S — CID 62759074

IUPACN'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
SMILESNCCCNCc1cncs1
InChIInChI=1S/C7H13N3S/c8-2-1-3-9-4-7-5-10-6-11-7/h5-6,9H,1-4,8H2
InChIKeyHXMCCLHCRBAPRM-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.58
Rot. Bonds5

About N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine

N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine (PubChem CID 62759074) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
PubChem CID62759074
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
SMILESNCCCNCc1cncs1
InChIInChI=1S/C7H13N3S/c8-2-1-3-9-4-7-5-10-6-11-7/h5-6,9H,1-4,8H2
InChIKeyHXMCCLHCRBAPRM-UHFFFAOYSA-N
XLogP0.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.58
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-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
CID 115732795
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
tert-butyl N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 115732318
N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
2-phenylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759077

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine (CID 62759074) is N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine is NCCCNCc1cncs1.
What is the InChIKey of N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine?
The InChIKey is HXMCCLHCRBAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c8-2-1-3-9-4-7-5-10-6-11-7/h5-6,9H,1-4,8H2.
What are the key properties of N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine?
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine has a molecular weight of 171.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62759074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).