5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

C15H27N3S2 — CID 115987966

IUPAC5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(CC)CSC)sc1CNC1CC1
InChIInChI=1S/C15H27N3S2/c1-5-12(10-19-4)18(3)15-17-13(6-2)14(20-15)9-16-11-7-8-11/h11-12,16H,5-10H2,1-4H3
InChIKeyRVQURBLYMZCKOY-UHFFFAOYSA-N
MW313.54 g/mol
LogP3.54
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 115987966) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID115987966
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC Name5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(CC)CSC)sc1CNC1CC1
InChIInChI=1S/C15H27N3S2/c1-5-12(10-19-4)18(3)15-17-13(6-2)14(20-15)9-16-11-7-8-11/h11-12,16H,5-10H2,1-4H3
InChIKeyRVQURBLYMZCKOY-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (CID 115987966) is 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is CCc1nc(N(C)C(CC)CSC)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is RVQURBLYMZCKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-5-12(10-19-4)18(3)15-17-13(6-2)14(20-15)9-16-11-7-8-11/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 313.54 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115987966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).