N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide

C18H21N5OS — CID 163536248

IUPACN-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide
SMILESCn1nncc1-c1ccc(C(=O)NCC(CN)Cc2ccccc2)s1
InChIInChI=1S/C18H21N5OS/c1-23-15(12-21-22-23)16-7-8-17(25-16)18(24)20-11-14(10-19)9-13-5-3-2-4-6-13/h2-8,12,14H,9-11,19H2,1H3,(H,20,24)
InChIKeyDXFDUOWONKTZRX-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide

N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide (PubChem CID 163536248) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide
PubChem CID163536248
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide
SMILESCn1nncc1-c1ccc(C(=O)NCC(CN)Cc2ccccc2)s1
InChIInChI=1S/C18H21N5OS/c1-23-15(12-21-22-23)16-7-8-17(25-16)18(24)20-11-14(10-19)9-13-5-3-2-4-6-13/h2-8,12,14H,9-11,19H2,1H3,(H,20,24)
InChIKeyDXFDUOWONKTZRX-UHFFFAOYSA-N
XLogP2.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Aminophenyl)-4-(1-(2-(3-thienyl)ethyl)-1H-1,2,3-triazol-4-yl)benzamide
CID 71721946
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-5-phenylthiophene-3-carboxamide
CID 71450701
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide
CID 69925409
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-5-methylthiophene-3-carboxamide
CID 69925805
N-(2-aminophenyl)-5-{1-[2-(3-nitrophenyl)ethyl]-1H-1,2,3-triazol-4-yl}thiophene-2-carboxamide
CID 71721558
N-hydroxy-3-[1-(2-thiophen-3-ylethyl)triazol-4-yl]benzamide
CID 136030781
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
[(1R)-2-(4-phenyltriazol-1-yl)-1-[(2-thiophen-2-ylacetyl)amino]ethyl]boronic acid
CID 71550247
[(1R)-2-[4-(3-aminophenyl)triazol-1-yl]-1-[(2-thiophen-2-ylacetyl)amino]ethyl]boronic acid
CID 71550249
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
5-[3-(1-adamantylmethyl)triazol-4-yl]-N-hydroxythiophene-2-carboxamide
CID 136078547

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide (CID 163536248) is N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide is Cn1nncc1-c1ccc(C(=O)NCC(CN)Cc2ccccc2)s1.
What is the InChIKey of N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide?
The InChIKey is DXFDUOWONKTZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-23-15(12-21-22-23)16-7-8-17(25-16)18(24)20-11-14(10-19)9-13-5-3-2-4-6-13/h2-8,12,14H,9-11,19H2,1H3,(H,20,24).
What are the key properties of N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide?
N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-phenylpropyl]-5-(3-methyltriazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 163536248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).