4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide

C17H22N4O3S — CID 53134287

IUPAC4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2nsc(C(=O)NCC(C)C)c2N)c1
InChIInChI=1S/C17H22N4O3S/c1-10(2)8-19-17(23)15-13(18)14(21-25-15)16(22)20-9-11-5-4-6-12(7-11)24-3/h4-7,10H,8-9,18H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyJPGBIBPQRXKBCC-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.05
Rot. Bonds7

About 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53134287) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID53134287
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2nsc(C(=O)NCC(C)C)c2N)c1
InChIInChI=1S/C17H22N4O3S/c1-10(2)8-19-17(23)15-13(18)14(21-25-15)16(22)20-9-11-5-4-6-12(7-11)24-3/h4-7,10H,8-9,18H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyJPGBIBPQRXKBCC-UHFFFAOYSA-N
XLogP2.05
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
4-amino-5-N-[(3,4-dimethylphenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395418
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331405
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
4-amino-5-N-butan-2-yl-3-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53335799
4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670788
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide (CID 53134287) is 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide is COc1cccc(CNC(=O)c2nsc(C(=O)NCC(C)C)c2N)c1.
What is the InChIKey of 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is JPGBIBPQRXKBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-10(2)8-19-17(23)15-13(18)14(21-25-15)16(22)20-9-11-5-4-6-12(7-11)24-3/h4-7,10H,8-9,18H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53134287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).