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

C21H27N5O3S — CID 3174304

IUPAC4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C21H27N5O3S/c1-12-8-6-7-11-15(12)26(13(2)20(28)24-14-9-4-3-5-10-14)21(29)18-16(22)17(19(23)27)25-30-18/h6-8,11,13-14H,3-5,9-10,22H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyLHUWNUMPFDRAMG-UHFFFAOYSA-N
MW429.55 g/mol
LogP2.62
Rot. Bonds6

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

4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3174304) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID3174304
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C21H27N5O3S/c1-12-8-6-7-11-15(12)26(13(2)20(28)24-14-9-4-3-5-10-14)21(29)18-16(22)17(19(23)27)25-30-18/h6-8,11,13-14H,3-5,9-10,22H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyLHUWNUMPFDRAMG-UHFFFAOYSA-N
XLogP2.62
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 3174304) is 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is LHUWNUMPFDRAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-12-8-6-7-11-15(12)26(13(2)20(28)24-14-9-4-3-5-10-14)21(29)18-16(22)17(19(23)27)25-30-18/h6-8,11,13-14H,3-5,9-10,22H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of 4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 429.55 g/mol, XLogP of 2.62, 6 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-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3174304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).