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

C6H11N3S — CID 82415863

IUPAC2-(3-aminopropyl)-1,3-thiazol-5-amine
SMILESNCCCc1ncc(N)s1
InChIInChI=1S/C6H11N3S/c7-3-1-2-6-9-4-5(8)10-6/h4H,1-3,7-8H2
InChIKeyJWBDJNAPIDJECT-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.62
Rot. Bonds3

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

2-(3-aminopropyl)-1,3-thiazol-5-amine (PubChem CID 82415863) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(3-aminopropyl)-1,3-thiazol-5-amine
PubChem CID82415863
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(3-aminopropyl)-1,3-thiazol-5-amine
SMILESNCCCc1ncc(N)s1
InChIInChI=1S/C6H11N3S/c7-3-1-2-6-9-4-5(8)10-6/h4H,1-3,7-8H2
InChIKeyJWBDJNAPIDJECT-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(3-aminopropyl)-1,3-thiazol-5-amine (CID 82415863) is 2-(3-aminopropyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(3-aminopropyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(3-aminopropyl)-1,3-thiazol-5-amine is NCCCc1ncc(N)s1.
What is the InChIKey of 2-(3-aminopropyl)-1,3-thiazol-5-amine?
The InChIKey is JWBDJNAPIDJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-3-1-2-6-9-4-5(8)10-6/h4H,1-3,7-8H2.
What are the key properties of 2-(3-aminopropyl)-1,3-thiazol-5-amine?
2-(3-aminopropyl)-1,3-thiazol-5-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 2-(3-aminopropyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 82415863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).