4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide

C26H35N5O3S — CID 3174456

IUPAC4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NC1CCCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H35N5O3S/c1-16(25(33)29-19-10-6-3-7-11-19)31(26(34)23-21(27)22(24(28)32)30-35-23)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h12-17,19H,2-11,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeySXHBQCMMZMMWNN-UHFFFAOYSA-N
MW497.67 g/mol
LogP4.36
Rot. Bonds7

About 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3174456) has the molecular formula C26H35N5O3S and a molecular weight of 497.67 g/mol. Its IUPAC name is 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID3174456
Molecular FormulaC26H35N5O3S
Molecular Weight497.67 g/mol
Exact Mass497.25
IUPAC Name4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NC1CCCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H35N5O3S/c1-16(25(33)29-19-10-6-3-7-11-19)31(26(34)23-21(27)22(24(28)32)30-35-23)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h12-17,19H,2-11,27H2,1H3,(H2,28,32)(H,29,33)
InChIKeySXHBQCMMZMMWNN-UHFFFAOYSA-N
XLogP4.36
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-N-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3745535
4-amino-5-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-N-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3174299
4-amino-5-N-(4-chlorophenyl)-5-N-[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 40631870
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40664729
4-amino-5-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40581521
4-amino-5-N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185317
4-amino-5-N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-5-N-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185505
4-amino-5-N-[(2R)-1-(cyclopentylamino)-1-oxopentan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 51423680
4-amino-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180047
4-amino-3-N-cyclopentyl-5-N-(4-fluorophenyl)-5-N-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3190431
4-amino-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40618540
4-amino-5-N-(4-chlorophenyl)-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3180056

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 3174456) is 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide is CC(C(=O)NC1CCCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is SXHBQCMMZMMWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3S/c1-16(25(33)29-19-10-6-3-7-11-19)31(26(34)23-21(27)22(24(28)32)30-35-23)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h12-17,19H,2-11,27H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 497.67 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3174456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).