5-(3-aminopropyl)-1,3-thiazol-2-amine

C6H11N3S — CID 21064773

IUPAC5-(3-aminopropyl)-1,3-thiazol-2-amine
SMILESNCCCc1cnc(N)s1
InChIInChI=1S/C6H11N3S/c7-3-1-2-5-4-9-6(8)10-5/h4H,1-3,7H2,(H2,8,9)
InChIKeyMYPDVYBPLNJAQX-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.62
Rot. Bonds3

About 5-(3-aminopropyl)-1,3-thiazol-2-amine

5-(3-aminopropyl)-1,3-thiazol-2-amine (PubChem CID 21064773) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-1,3-thiazol-2-amine
PubChem CID21064773
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-(3-aminopropyl)-1,3-thiazol-2-amine
SMILESNCCCc1cnc(N)s1
InChIInChI=1S/C6H11N3S/c7-3-1-2-5-4-9-6(8)10-5/h4H,1-3,7H2,(H2,8,9)
InChIKeyMYPDVYBPLNJAQX-UHFFFAOYSA-N
XLogP0.62
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[Phosphono-[(5-propyl-1,3-thiazol-2-yl)amino]methyl]phosphonic acid
CID 11001596
5-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 13637167
5-Ethyl-1,3-thiazol-2-amine
CID 12737257
5-tert-Butyl-1,3-thiazol-2-amine
CID 676485
5-Propyl-1,3-thiazol-2-amine
CID 3282236
5-(Propan-2-yl)-1,3-thiazol-2-amine
CID 10486954
5-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-amine
CID 12284087
5-[2-(Methylamino)ethyl]-1,3-thiazol-2-amine
CID 13637169
5-Cyclobutyl-1,3-thiazol-2-amine
CID 12991423
5-(2-Aminoethyl)-1,3-thiazol-2-amine--hydrogen chloride (1/2)
CID 13637168
5-Cyclopropyl-1,3-thiazol-2-amine
CID 22170679
5-Cyclohexyl-2-thiazolamine
CID 71758630

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-aminopropyl)-1,3-thiazol-2-amine (CID 21064773) is 5-(3-aminopropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-aminopropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-aminopropyl)-1,3-thiazol-2-amine is NCCCc1cnc(N)s1.
What is the InChIKey of 5-(3-aminopropyl)-1,3-thiazol-2-amine?
The InChIKey is MYPDVYBPLNJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-3-1-2-5-4-9-6(8)10-5/h4H,1-3,7H2,(H2,8,9).
What are the key properties of 5-(3-aminopropyl)-1,3-thiazol-2-amine?
5-(3-aminopropyl)-1,3-thiazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 21064773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).