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

C20H25N5O4S — CID 23885515

IUPAC4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C20H25N5O4S/c1-29-14-10-6-5-9-13(14)25(11-15(26)23-12-7-3-2-4-8-12)20(28)18-16(21)17(19(22)27)24-30-18/h5-6,9-10,12H,2-4,7-8,11,21H2,1H3,(H2,22,27)(H,23,26)
InChIKeyRYEXFYBZRXTOMP-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.93
Rot. Bonds7

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

4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 23885515) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID23885515
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C20H25N5O4S/c1-29-14-10-6-5-9-13(14)25(11-15(26)23-12-7-3-2-4-8-12)20(28)18-16(21)17(19(22)27)24-30-18/h5-6,9-10,12H,2-4,7-8,11,21H2,1H3,(H2,22,27)(H,23,26)
InChIKeyRYEXFYBZRXTOMP-UHFFFAOYSA-N
XLogP1.93
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(2,5-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 23742268
4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3172438
4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3831172
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 93473320
4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3814940
4-amino-5-N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3185774
4-amino-5-N-[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180075
4-amino-5-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 3185469
4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-5-N-cyclopentyl-1,2-thiazole-3,5-dicarboxamide
CID 25459733
4-amino-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(2-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40618552
4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(2-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40664792
4-amino-3-N-cyclohexyl-5-N-(2,4-dimethoxyphenyl)-5-N-(2-oxoheptyl)-1,2-thiazole-3,5-dicarboxamide
CID 158176362

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 23885515) is 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is RYEXFYBZRXTOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-29-14-10-6-5-9-13(14)25(11-15(26)23-12-7-3-2-4-8-12)20(28)18-16(21)17(19(22)27)24-30-18/h5-6,9-10,12H,2-4,7-8,11,21H2,1H3,(H2,22,27)(H,23,26).
What are the key properties of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 431.52 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 23885515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).