5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine

C10H13N3S2 — CID 86790673

IUPAC5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cncs2)s1
InChIInChI=1S/C10H13N3S2/c1-2-3-8-5-12-10(15-8)13-6-9-4-11-7-14-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyHPBRGPKZUZNYHQ-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.16
Rot. Bonds5

About 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine

5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 86790673) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine
PubChem CID86790673
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCc1cnc(NCc2cncs2)s1
InChIInChI=1S/C10H13N3S2/c1-2-3-8-5-12-10(15-8)13-6-9-4-11-7-14-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyHPBRGPKZUZNYHQ-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine (CID 86790673) is 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine is CCCc1cnc(NCc2cncs2)s1.
What is the InChIKey of 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HPBRGPKZUZNYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-2-3-8-5-12-10(15-8)13-6-9-4-11-7-14-9/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine?
5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 239.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86790673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).