N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C18H16N4O2S — CID 2554360

IUPACN-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O2S/c1-12(23)19-15-9-7-13(8-10-15)16-11-25-18(21-16)22-17(24)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyAVSVJGAGDGCOFI-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.41
Rot. Bonds4

About N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2554360) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2554360
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O2S/c1-12(23)19-15-9-7-13(8-10-15)16-11-25-18(21-16)22-17(24)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyAVSVJGAGDGCOFI-UHFFFAOYSA-N
XLogP4.41
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 2554360) is N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is AVSVJGAGDGCOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12(23)19-15-9-7-13(8-10-15)16-11-25-18(21-16)22-17(24)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 352.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2554360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).