5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine

C9H17N3OS — CID 103364815

IUPAC5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine
SMILESCCCOCCCNc1cc(N)ns1
InChIInChI=1S/C9H17N3OS/c1-2-5-13-6-3-4-11-9-7-8(10)12-14-9/h7,11H,2-6H2,1H3,(H2,10,12)
InChIKeyPXKFMPOVLNKXHJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.95
Rot. Bonds7

About 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine

5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364815) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine
PubChem CID103364815
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine
SMILESCCCOCCCNc1cc(N)ns1
InChIInChI=1S/C9H17N3OS/c1-2-5-13-6-3-4-11-9-7-8(10)12-14-9/h7,11H,2-6H2,1H3,(H2,10,12)
InChIKeyPXKFMPOVLNKXHJ-UHFFFAOYSA-N
XLogP1.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 82947352
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
CID 103360202
5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
CID 103364233
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
N-(3-propoxypropyl)-2,1-benzothiazol-3-amine
CID 82943856
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
CID 82942310
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
2-N-(3-propoxypropyl)-1,3-benzothiazole-2,6-diamine
CID 82940537
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine (CID 103364815) is 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine is CCCOCCCNc1cc(N)ns1.
What is the InChIKey of 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PXKFMPOVLNKXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-5-13-6-3-4-11-9-7-8(10)12-14-9/h7,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine?
5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 215.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-propoxypropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).