N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine

C11H18N2OS2 — CID 115888067

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1nc2c(s1)CCC2)S(C)=O
InChIInChI=1S/C11H18N2OS2/c1-8(16(2)14)6-12-7-11-13-9-4-3-5-10(9)15-11/h8,12H,3-7H2,1-2H3
InChIKeyPMTHMXGWLUDMQJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.49
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine (PubChem CID 115888067) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine
PubChem CID115888067
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1nc2c(s1)CCC2)S(C)=O
InChIInChI=1S/C11H18N2OS2/c1-8(16(2)14)6-12-7-11-13-9-4-3-5-10(9)15-11/h8,12H,3-7H2,1-2H3
InChIKeyPMTHMXGWLUDMQJ-UHFFFAOYSA-N
XLogP1.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)methanesulfonamide
CID 165441927
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
CID 115887221
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-fluoropropan-1-amine
CID 115887949
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115
2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 55156826
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
N-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 62923045
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butan-1-amine
CID 94270126
methyl 4-[(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)methyl]oxane-4-carboxylate
CID 86788961
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115887690

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine (CID 115888067) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine is CC(CNCc1nc2c(s1)CCC2)S(C)=O.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine?
The InChIKey is PMTHMXGWLUDMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-8(16(2)14)6-12-7-11-13-9-4-3-5-10(9)15-11/h8,12H,3-7H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115888067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).