5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine

C9H15N3S — CID 118958251

IUPAC5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1cnc(N)s1)C1CC1
InChIInChI=1S/C9H15N3S/c1-6(7-2-3-7)11-4-8-5-12-9(10)13-8/h5-7,11H,2-4H2,1H3,(H2,10,12)
InChIKeyHIUZLUXUXCIEBG-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.61
Rot. Bonds4

About 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine

5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 118958251) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID118958251
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1cnc(N)s1)C1CC1
InChIInChI=1S/C9H15N3S/c1-6(7-2-3-7)11-4-8-5-12-9(10)13-8/h5-7,11H,2-4H2,1H3,(H2,10,12)
InChIKeyHIUZLUXUXCIEBG-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine (CID 118958251) is 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine is CC(NCc1cnc(N)s1)C1CC1.
What is the InChIKey of 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is HIUZLUXUXCIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(7-2-3-7)11-4-8-5-12-9(10)13-8/h5-7,11H,2-4H2,1H3,(H2,10,12).
What are the key properties of 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine?
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118958251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).