N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine

C18H20N4S — CID 56915549

IUPACN-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine
SMILESCc1ccsc1CN(Cc1cn(-c2ccccc2)nn1)C1CC1
InChIInChI=1S/C18H20N4S/c1-14-9-10-23-18(14)13-21(16-7-8-16)11-15-12-22(20-19-15)17-5-3-2-4-6-17/h2-6,9-10,12,16H,7-8,11,13H2,1H3
InChIKeyGZKQGIFWIKYUBC-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.80
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine

N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine (PubChem CID 56915549) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine
PubChem CID56915549
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine
SMILESCc1ccsc1CN(Cc1cn(-c2ccccc2)nn1)C1CC1
InChIInChI=1S/C18H20N4S/c1-14-9-10-23-18(14)13-21(16-7-8-16)11-15-12-22(20-19-15)17-5-3-2-4-6-17/h2-6,9-10,12,16H,7-8,11,13H2,1H3
InChIKeyGZKQGIFWIKYUBC-UHFFFAOYSA-N
XLogP3.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Kpc-2-IN-2
CID 164887536
[2-Fluoro-5-(4-thiophen-3-yltriazol-1-yl)phenyl]boronic acid
CID 168297108
[2,4-Difluoro-5-(4-thiophen-3-yltriazol-1-yl)phenyl]boronic acid
CID 168285067
[2,3-Difluoro-5-(4-thiophen-3-yltriazol-1-yl)phenyl]boronic acid
CID 168292907
N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 50966220
5-[[1-(1-methyl-4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740498
5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740608
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-thiophen-3-yltriazole
CID 155516520
1-[(4-Tert-butylphenyl)methyl]-4-thiophen-2-yltriazole
CID 162664075
1-(1-phenylethyl)-4-[(Z)-2-thiophen-2-ylethenyl]triazole
CID 168270673
N,N-dimethyl-4-(4-thiophen-3-yltriazol-2-yl)aniline
CID 172435546
1-Benzyl-4-thiophen-2-yltriazole
CID 11715687

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine (CID 56915549) is N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine is Cc1ccsc1CN(Cc1cn(-c2ccccc2)nn1)C1CC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine?
The InChIKey is GZKQGIFWIKYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-14-9-10-23-18(14)13-21(16-7-8-16)11-15-12-22(20-19-15)17-5-3-2-4-6-17/h2-6,9-10,12,16H,7-8,11,13H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine?
N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine has a molecular weight of 324.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-N-[(1-phenyltriazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 56915549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).