4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

C18H18N4O3S — CID 53141242

IUPAC4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2snc(-c3ccccn3)c2N)c1
InChIInChI=1S/C18H18N4O3S/c1-24-12-6-7-14(25-2)11(9-12)10-21-18(23)17-15(19)16(22-26-17)13-5-3-4-8-20-13/h3-9H,10,19H2,1-2H3,(H,21,23)
InChIKeyOKHDMXBDYMDJRW-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.73
Rot. Bonds6

About 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 53141242) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
PubChem CID53141242
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2snc(-c3ccccn3)c2N)c1
InChIInChI=1S/C18H18N4O3S/c1-24-12-6-7-14(25-2)11(9-12)10-21-18(23)17-15(19)16(22-26-17)13-5-3-4-8-20-13/h3-9H,10,19H2,1-2H3,(H,21,23)
InChIKeyOKHDMXBDYMDJRW-UHFFFAOYSA-N
XLogP2.73
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
N-[(4-methoxyphenyl)methyl]-4-(2-methylpropanoylamino)-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141321
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906086
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793362
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
4-amino-N-[(2-methoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905820
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353994

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (CID 53141242) is 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is COc1ccc(OC)c(CNC(=O)c2snc(-c3ccccn3)c2N)c1.
What is the InChIKey of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is OKHDMXBDYMDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-12-6-7-14(25-2)11(9-12)10-21-18(23)17-15(19)16(22-26-17)13-5-3-4-8-20-13/h3-9H,10,19H2,1-2H3,(H,21,23).
What are the key properties of 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53141242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).