4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine

C9H9N3S2 — CID 130831676

IUPAC4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2csc(C3CC3)n2)cs1
InChIInChI=1S/C9H9N3S2/c10-9-12-7(4-14-9)6-3-13-8(11-6)5-1-2-5/h3-5H,1-2H2,(H2,10,12)
InChIKeyUUNDMOKANVUGGB-UHFFFAOYSA-N
MW223.33 g/mol
LogP2.73
Rot. Bonds2

About 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine

4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 130831676) has the molecular formula C9H9N3S2 and a molecular weight of 223.33 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
PubChem CID130831676
Molecular FormulaC9H9N3S2
Molecular Weight223.33 g/mol
Exact Mass223.02
IUPAC Name4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2csc(C3CC3)n2)cs1
InChIInChI=1S/C9H9N3S2/c10-9-12-7(4-14-9)6-3-13-8(11-6)5-1-2-5/h3-5H,1-2H2,(H2,10,12)
InChIKeyUUNDMOKANVUGGB-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine (CID 130831676) is 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine is Nc1nc(-c2csc(C3CC3)n2)cs1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is UUNDMOKANVUGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S2/c10-9-12-7(4-14-9)6-3-13-8(11-6)5-1-2-5/h3-5H,1-2H2,(H2,10,12).
What are the key properties of 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 223.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130831676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).