6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide

C26H27N5O2S — CID 46943943

IUPAC6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2nc(C(N)COCc3ccccc3)cs2)nc1
InChIInChI=1S/C26H27N5O2S/c1-31(15-19-8-4-2-5-9-19)25(32)21-12-13-24(28-14-21)30-26-29-23(18-34-26)22(27)17-33-16-20-10-6-3-7-11-20/h2-14,18,22H,15-17,27H2,1H3,(H,28,29,30)
InChIKeyYWZINJROCPFNMA-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.77
Rot. Bonds10

About 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide

6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide (PubChem CID 46943943) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide
PubChem CID46943943
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2nc(C(N)COCc3ccccc3)cs2)nc1
InChIInChI=1S/C26H27N5O2S/c1-31(15-19-8-4-2-5-9-19)25(32)21-12-13-24(28-14-21)30-26-29-23(18-34-26)22(27)17-33-16-20-10-6-3-7-11-20/h2-14,18,22H,15-17,27H2,1H3,(H,28,29,30)
InChIKeyYWZINJROCPFNMA-UHFFFAOYSA-N
XLogP4.77
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl (2S)-2-[[4-[4-(3-pyridylcarbamoyl)phenyl]thiazol-2-yl]carbamoyl]-4,8-dioxa-1-azaspiro[4.5]decane-1-carboxylate
CID 49773652
ethyl 5-[2-[2-[2-(diethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 9981456
benzyl (2S)-2-[[4-[4-(pyridin-4-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 57849751
Ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
CID 134138693
6-[[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 46943027
6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 46943181
6-[[4-(1-amino-2-phenylethyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49778445
6-[[4-[1-amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49778883
6-[[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49778887
6-[[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49789177
6-[[4-(1-aminoethyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49789358
6-[[4-(1-amino-2-phenylethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide
CID 49789390

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide (CID 46943943) is 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc(C(N)COCc3ccccc3)cs2)nc1.
What is the InChIKey of 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide?
The InChIKey is YWZINJROCPFNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-31(15-19-8-4-2-5-9-19)25(32)21-12-13-24(28-14-21)30-26-29-23(18-34-26)22(27)17-33-16-20-10-6-3-7-11-20/h2-14,18,22H,15-17,27H2,1H3,(H,28,29,30).
What are the key properties of 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide?
6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 46943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).