2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C22H25N3O2S — CID 119802458

IUPAC2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CN(C(=O)c2csc(CN)n2)C(C)C)cc1
InChIInChI=1S/C22H25N3O2S/c1-15(2)25(22(26)19-14-28-21(12-23)24-19)13-16-8-10-17(11-9-16)18-6-4-5-7-20(18)27-3/h4-11,14-15H,12-13,23H2,1-3H3
InChIKeyGJJLNHRPZNTCNW-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.33
Rot. Bonds7

About 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 119802458) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID119802458
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CN(C(=O)c2csc(CN)n2)C(C)C)cc1
InChIInChI=1S/C22H25N3O2S/c1-15(2)25(22(26)19-14-28-21(12-23)24-19)13-16-8-10-17(11-9-16)18-6-4-5-7-20(18)27-3/h4-11,14-15H,12-13,23H2,1-3H3
InChIKeyGJJLNHRPZNTCNW-UHFFFAOYSA-N
XLogP4.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688844
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119723226
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119334370
(2S,5R)-5-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yloxolane-2-carboxamide
CID 120794830
methyl 2-[[(2-methoxybenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 810933
2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119751058
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377464
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylacetamide
CID 119802464
2-(aminomethyl)-N-[2-(2-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 119804819
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55670905

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 119802458) is 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is COc1ccccc1-c1ccc(CN(C(=O)c2csc(CN)n2)C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GJJLNHRPZNTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(2)25(22(26)19-14-28-21(12-23)24-19)13-16-8-10-17(11-9-16)18-6-4-5-7-20(18)27-3/h4-11,14-15H,12-13,23H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119802458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).