N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C17H20N4OS — CID 25106458

IUPACN-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCOc1cc(Nc2nc3c(s2)CCC3)ccc1N1C=NC(C)C1
InChIInChI=1S/C17H20N4OS/c1-11-9-21(10-18-11)14-7-6-12(8-15(14)22-2)19-17-20-13-4-3-5-16(13)23-17/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyCZQPVZIBEYPOML-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.62
Rot. Bonds4

About N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 25106458) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID25106458
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCOc1cc(Nc2nc3c(s2)CCC3)ccc1N1C=NC(C)C1
InChIInChI=1S/C17H20N4OS/c1-11-9-21(10-18-11)14-7-6-12(8-15(14)22-2)19-17-20-13-4-3-5-16(13)23-17/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyCZQPVZIBEYPOML-UHFFFAOYSA-N
XLogP3.62
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 25106458) is N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is COc1cc(Nc2nc3c(s2)CCC3)ccc1N1C=NC(C)C1.
What is the InChIKey of N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is CZQPVZIBEYPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-9-21(10-18-11)14-7-6-12(8-15(14)22-2)19-17-20-13-4-3-5-16(13)23-17/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 328.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 25106458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).