2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C20H23N5O2S2 — CID 43996982

IUPAC2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cc3csc(NC(=O)NC4CCCCC4)n3)sc2c1
InChIInChI=1S/C20H23N5O2S2/c1-12-7-8-15-16(9-12)29-20(23-15)24-17(26)10-14-11-28-19(22-14)25-18(27)21-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,23,24,26)(H2,21,22,25,27)
InChIKeyHCISWNLFKRONIE-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.70
Rot. Bonds5

About 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43996982) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID43996982
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC Name2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cc3csc(NC(=O)NC4CCCCC4)n3)sc2c1
InChIInChI=1S/C20H23N5O2S2/c1-12-7-8-15-16(9-12)29-20(23-15)24-17(26)10-14-11-28-19(22-14)25-18(27)21-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,23,24,26)(H2,21,22,25,27)
InChIKeyHCISWNLFKRONIE-UHFFFAOYSA-N
XLogP4.70
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820226
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27463137
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 43996974
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821
2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820720
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 41211744
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 43996982) is 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)NC4CCCCC4)n3)sc2c1.
What is the InChIKey of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HCISWNLFKRONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-12-7-8-15-16(9-12)29-20(23-15)24-17(26)10-14-11-28-19(22-14)25-18(27)21-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,23,24,26)(H2,21,22,25,27).
What are the key properties of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 429.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43996982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).