2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide

C14H20F2N4O2S — CID 122148552

IUPAC2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CNC(=O)Nc1ncc(C2CCCCC2)s1)NCC(F)F
InChIInChI=1S/C14H20F2N4O2S/c15-11(16)7-17-12(21)8-18-13(22)20-14-19-6-10(23-14)9-4-2-1-3-5-9/h6,9,11H,1-5,7-8H2,(H,17,21)(H2,18,19,20,22)
InChIKeyVEDZBIFKSJBBRP-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.69
Rot. Bonds6

About 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide

2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide (PubChem CID 122148552) has the molecular formula C14H20F2N4O2S and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide
PubChem CID122148552
Molecular FormulaC14H20F2N4O2S
Molecular Weight346.40 g/mol
Exact Mass346.13
IUPAC Name2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CNC(=O)Nc1ncc(C2CCCCC2)s1)NCC(F)F
InChIInChI=1S/C14H20F2N4O2S/c15-11(16)7-17-12(21)8-18-13(22)20-14-19-6-10(23-14)9-4-2-1-3-5-9/h6,9,11H,1-5,7-8H2,(H,17,21)(H2,18,19,20,22)
InChIKeyVEDZBIFKSJBBRP-UHFFFAOYSA-N
XLogP2.69
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide (CID 122148552) is 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide is O=C(CNC(=O)Nc1ncc(C2CCCCC2)s1)NCC(F)F.
What is the InChIKey of 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide?
The InChIKey is VEDZBIFKSJBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2S/c15-11(16)7-17-12(21)8-18-13(22)20-14-19-6-10(23-14)9-4-2-1-3-5-9/h6,9,11H,1-5,7-8H2,(H,17,21)(H2,18,19,20,22).
What are the key properties of 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide?
2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1,3-thiazol-2-yl)carbamoylamino]-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 122148552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).