5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine

C14H16N2OS — CID 61331092

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2nc3c(s2)CCC3)c1
InChIInChI=1S/C14H16N2OS/c1-17-10-5-2-4-9(8-10)13(15)14-16-11-6-3-7-12(11)18-14/h2,4-5,8,13H,3,6-7,15H2,1H3
InChIKeyZNZAAAPDFSZHFW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.69
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine (PubChem CID 61331092) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
PubChem CID61331092
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2nc3c(s2)CCC3)c1
InChIInChI=1S/C14H16N2OS/c1-17-10-5-2-4-9(8-10)13(15)14-16-11-6-3-7-12(11)18-14/h2,4-5,8,13H,3,6-7,15H2,1H3
InChIKeyZNZAAAPDFSZHFW-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 61331493
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
CID 62499814
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4-dimethoxyphenyl)methanamine
CID 61330501
(3-chloro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 65026757
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63078223
(2,3-dimethoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332876
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 61332667
(3,5-dichlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61331896
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine
CID 54980150
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61330899

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine (CID 61331092) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2nc3c(s2)CCC3)c1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?
The InChIKey is ZNZAAAPDFSZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-10-5-2-4-9(8-10)13(15)14-16-11-6-3-7-12(11)18-14/h2,4-5,8,13H,3,6-7,15H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 61331092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).