N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

C13H16N2S2 — CID 54977283

IUPACN-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1cc(C(NC2CC2)c2nccs2)c(C)s1
InChIInChI=1S/C13H16N2S2/c1-8-7-11(9(2)17-8)12(15-10-3-4-10)13-14-5-6-16-13/h5-7,10,12,15H,3-4H2,1-2H3
InChIKeyLKXOXIIJFMTLEB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.66
Rot. Bonds4

About N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 54977283) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID54977283
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1cc(C(NC2CC2)c2nccs2)c(C)s1
InChIInChI=1S/C13H16N2S2/c1-8-7-11(9(2)17-8)12(15-10-3-4-10)13-14-5-6-16-13/h5-7,10,12,15H,3-4H2,1-2H3
InChIKeyLKXOXIIJFMTLEB-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79982575
N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66156470
N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 62700187
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79981023
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115959886
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83230978
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 54977283) is N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1cc(C(NC2CC2)c2nccs2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is LKXOXIIJFMTLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-8-7-11(9(2)17-8)12(15-10-3-4-10)13-14-5-6-16-13/h5-7,10,12,15H,3-4H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 264.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 54977283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).