2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H26N4O2S — CID 813398

IUPAC2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C(=O)NC2CCCCC2)C(C)C)n1
InChIInChI=1S/C16H26N4O2S/c1-11(2)20(16(22)18-13-7-5-4-6-8-13)9-14(21)19-15-17-12(3)10-23-15/h10-11,13H,4-9H2,1-3H3,(H,18,22)(H,17,19,21)
InChIKeyDMPNRMJCRHTHMR-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.14
Rot. Bonds5

About 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 813398) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID813398
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C(=O)NC2CCCCC2)C(C)C)n1
InChIInChI=1S/C16H26N4O2S/c1-11(2)20(16(22)18-13-7-5-4-6-8-13)9-14(21)19-15-17-12(3)10-23-15/h10-11,13H,4-9H2,1-3H3,(H,18,22)(H,17,19,21)
InChIKeyDMPNRMJCRHTHMR-UHFFFAOYSA-N
XLogP3.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 813398) is 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C(=O)NC2CCCCC2)C(C)C)n1.
What is the InChIKey of 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DMPNRMJCRHTHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11(2)20(16(22)18-13-7-5-4-6-8-13)9-14(21)19-15-17-12(3)10-23-15/h10-11,13H,4-9H2,1-3H3,(H,18,22)(H,17,19,21).
What are the key properties of 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 338.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 813398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).