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

C13H16N2S2 — CID 54977036

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2nc3c(s2)CCC3)c(C)s1
InChIInChI=1S/C13H16N2S2/c1-7-6-9(8(2)16-7)12(14)13-15-10-4-3-5-11(10)17-13/h6,12H,3-5,14H2,1-2H3
InChIKeyMPNSBNPGSAZDLB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.36
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine (PubChem CID 54977036) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine
PubChem CID54977036
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2nc3c(s2)CCC3)c(C)s1
InChIInChI=1S/C13H16N2S2/c1-7-6-9(8(2)16-7)12(14)13-15-10-4-3-5-11(10)17-13/h6,12H,3-5,14H2,1-2H3
InChIKeyMPNSBNPGSAZDLB-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 55232526
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61329984
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61330098
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2-fluorophenyl)methanamine
CID 61330104
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 61330374
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(4-fluorophenyl)methanamine
CID 61330699
1-(2,6-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 61330773
1-(3,4-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 61330774
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methanamine
CID 61331090
(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61331488
(3,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61331683
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-fluorophenyl)methyl]ethanamine
CID 61331838

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine (CID 54977036) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine is Cc1cc(C(N)c2nc3c(s2)CCC3)c(C)s1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine?
The InChIKey is MPNSBNPGSAZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-7-6-9(8(2)16-7)12(14)13-15-10-4-3-5-11(10)17-13/h6,12H,3-5,14H2,1-2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 3.36, 2 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-(2,5-dimethylthiophen-3-yl)methanamine is sourced from PubChem (CID 54977036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).