2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide

C22H25N3O2S — CID 119773884

IUPAC2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2ccccc2c1CN(C(=O)c1csc(CN)n1)C1CCCC1
InChIInChI=1S/C22H25N3O2S/c1-27-20-11-10-15-6-2-5-9-17(15)18(20)13-25(16-7-3-4-8-16)22(26)19-14-28-21(12-23)24-19/h2,5-6,9-11,14,16H,3-4,7-8,12-13,23H2,1H3
InChIKeyLBFLIMCCYUPVFK-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.35
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119773884) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID119773884
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2ccccc2c1CN(C(=O)c1csc(CN)n1)C1CCCC1
InChIInChI=1S/C22H25N3O2S/c1-27-20-11-10-15-6-2-5-9-17(15)18(20)13-25(16-7-3-4-8-16)22(26)19-14-28-21(12-23)24-19/h2,5-6,9-11,14,16H,3-4,7-8,12-13,23H2,1H3
InChIKeyLBFLIMCCYUPVFK-UHFFFAOYSA-N
XLogP4.35
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide (CID 119773884) is 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc2ccccc2c1CN(C(=O)c1csc(CN)n1)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LBFLIMCCYUPVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-27-20-11-10-15-6-2-5-9-17(15)18(20)13-25(16-7-3-4-8-16)22(26)19-14-28-21(12-23)24-19/h2,5-6,9-11,14,16H,3-4,7-8,12-13,23H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119773884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).