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

C16H20N2OS — CID 61331493

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2nc3c(s2)CCC3)c1
InChIInChI=1S/C16H20N2OS/c1-10(2)19-12-6-3-5-11(9-12)15(17)16-18-13-7-4-8-14(13)20-16/h3,5-6,9-10,15H,4,7-8,17H2,1-2H3
InChIKeyCPTKAKFNRZQGNI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.47
Rot. Bonds4

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 61331493) 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-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
PubChem CID61331493
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2nc3c(s2)CCC3)c1
InChIInChI=1S/C16H20N2OS/c1-10(2)19-12-6-3-5-11(9-12)15(17)16-18-13-7-4-8-14(13)20-16/h3,5-6,9-10,15H,4,7-8,17H2,1-2H3
InChIKeyCPTKAKFNRZQGNI-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propoxyphenyl)methanamine
CID 62499814
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
N-[(3-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-2-amine
CID 61335434
(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 81154464
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 61332667
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine
CID 54980150
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine
CID 104822866
1-(3-ethoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61332608
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine (CID 61331493) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(C(N)c2nc3c(s2)CCC3)c1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is CPTKAKFNRZQGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(2)19-12-6-3-5-11(9-12)15(17)16-18-13-7-4-8-14(13)20-16/h3,5-6,9-10,15H,4,7-8,17H2,1-2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.47, 4 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-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 61331493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).