N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine

C18H24N2S — CID 61333469

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine
SMILESCc1ccc(C(NC(C)C)c2nc3c(s2)CCC3)cc1C
InChIInChI=1S/C18H24N2S/c1-11(2)19-17(14-9-8-12(3)13(4)10-14)18-20-15-6-5-7-16(15)21-18/h8-11,17,19H,5-7H2,1-4H3
InChIKeyAYZOTZFTFSUBGP-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.34
Rot. Bonds4

About N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine (PubChem CID 61333469) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine
PubChem CID61333469
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine
SMILESCc1ccc(C(NC(C)C)c2nc3c(s2)CCC3)cc1C
InChIInChI=1S/C18H24N2S/c1-11(2)19-17(14-9-8-12(3)13(4)10-14)18-20-15-6-5-7-16(15)21-18/h8-11,17,19H,5-7H2,1-4H3
InChIKeyAYZOTZFTFSUBGP-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-2-amine
CID 61335434
N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61334255
N-[(3-chlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61335817
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methylthiophen-2-yl)methyl]propan-2-amine
CID 61347934
1-(4-bromo-3-methylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 66478811
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61345201
N-[(4-fluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62122591
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine
CID 79584000
N-[(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
CID 61334295
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
N-[(2-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61333665

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine (CID 61333469) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine is Cc1ccc(C(NC(C)C)c2nc3c(s2)CCC3)cc1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine?
The InChIKey is AYZOTZFTFSUBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-11(2)19-17(14-9-8-12(3)13(4)10-14)18-20-15-6-5-7-16(15)21-18/h8-11,17,19H,5-7H2,1-4H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 61333469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).