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

C16H20N2OS — CID 62499814

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2nc3c(s2)CCC3)c1
InChIInChI=1S/C16H20N2OS/c1-2-9-19-12-6-3-5-11(10-12)15(17)16-18-13-7-4-8-14(13)20-16/h3,5-6,10,15H,2,4,7-9,17H2,1H3
InChIKeyJVSLRACVKGFPKP-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.47
Rot. Bonds5

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine (PubChem CID 62499814) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
PubChem CID62499814
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2nc3c(s2)CCC3)c1
InChIInChI=1S/C16H20N2OS/c1-2-9-19-12-6-3-5-11(10-12)15(17)16-18-13-7-4-8-14(13)20-16/h3,5-6,10,15H,2,4,7-9,17H2,1H3
InChIKeyJVSLRACVKGFPKP-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.47
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-methoxyphenyl)methanamine
CID 61331092
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 61331493
1-(3-ethoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332608
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 81154464

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine (CID 62499814) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2nc3c(s2)CCC3)c1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine?
The InChIKey is JVSLRACVKGFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-9-19-12-6-3-5-11(10-12)15(17)16-18-13-7-4-8-14(13)20-16/h3,5-6,10,15H,2,4,7-9,17H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.47, 5 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-propoxyphenyl)methanamine is sourced from PubChem (CID 62499814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).