5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine

C10H13N3S2 — CID 86790678

IUPAC5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(NCc2cscn2)s1
InChIInChI=1S/C10H13N3S2/c1-7(2)9-4-12-10(15-9)11-3-8-5-14-6-13-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyRUZDWVSKPKBQJF-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.34
Rot. Bonds4

About 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine

5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 86790678) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID86790678
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(NCc2cscn2)s1
InChIInChI=1S/C10H13N3S2/c1-7(2)9-4-12-10(15-9)11-3-8-5-14-6-13-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyRUZDWVSKPKBQJF-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 86790678) is 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is CC(C)c1cnc(NCc2cscn2)s1.
What is the InChIKey of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is RUZDWVSKPKBQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-7(2)9-4-12-10(15-9)11-3-8-5-14-6-13-8/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 239.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86790678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).