2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide

C15H22N6O2S2 — CID 13163904

IUPAC2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
SMILESNCCCC(CCCN)(C(=O)Nc1nccs1)C(=O)Nc1nccs1
InChIInChI=1S/C15H22N6O2S2/c16-5-1-3-15(4-2-6-17,11(22)20-13-18-7-9-24-13)12(23)21-14-19-8-10-25-14/h7-10H,1-6,16-17H2,(H,18,20,22)(H,19,21,23)
InChIKeyPTJRMDBIPOYAIT-UHFFFAOYSA-N
MW382.52 g/mol
LogP1.64
Rot. Bonds10

About 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide

2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide (PubChem CID 13163904) has the molecular formula C15H22N6O2S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide.

Molecular Properties

Compound Name2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
PubChem CID13163904
Molecular FormulaC15H22N6O2S2
Molecular Weight382.52 g/mol
Exact Mass382.12
IUPAC Name2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
SMILESNCCCC(CCCN)(C(=O)Nc1nccs1)C(=O)Nc1nccs1
InChIInChI=1S/C15H22N6O2S2/c16-5-1-3-15(4-2-6-17,11(22)20-13-18-7-9-24-13)12(23)21-14-19-8-10-25-14/h7-10H,1-6,16-17H2,(H,18,20,22)(H,19,21,23)
InChIKeyPTJRMDBIPOYAIT-UHFFFAOYSA-N
XLogP1.64
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide
CID 3799944
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate
CID 143406687
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide?
The IUPAC name of 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide (CID 13163904) is 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide.
What is the SMILES notation for 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide?
The canonical SMILES for 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide is NCCCC(CCCN)(C(=O)Nc1nccs1)C(=O)Nc1nccs1.
What is the InChIKey of 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide?
The InChIKey is PTJRMDBIPOYAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S2/c16-5-1-3-15(4-2-6-17,11(22)20-13-18-7-9-24-13)12(23)21-14-19-8-10-25-14/h7-10H,1-6,16-17H2,(H,18,20,22)(H,19,21,23).
What are the key properties of 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide?
2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide has a molecular weight of 382.52 g/mol, XLogP of 1.64, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide is sourced from PubChem (CID 13163904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).