2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide

C20H26N4O2S — CID 43996976

IUPAC2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1C
InChIInChI=1S/C20H26N4O2S/c1-13-8-9-16(10-14(13)2)21-18(25)11-17-12-27-20(23-17)24-19(26)22-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyKFSDDEPMABAHAW-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.40
Rot. Bonds5

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

2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 43996976) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID43996976
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1C
InChIInChI=1S/C20H26N4O2S/c1-13-8-9-16(10-14(13)2)21-18(25)11-17-12-27-20(23-17)24-19(26)22-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyKFSDDEPMABAHAW-UHFFFAOYSA-N
XLogP4.40
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,3-dimethylphenyl)acetamide
CID 43996974
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 27652941
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 41211744
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821
N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 1023950
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 41211729
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43996982
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-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide (CID 43996976) is 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1C.
What is the InChIKey of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is KFSDDEPMABAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-8-9-16(10-14(13)2)21-18(25)11-17-12-27-20(23-17)24-19(26)22-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 43996976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).