N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

C23H20N4O2S — CID 27453444

IUPACN-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc2ccccc12
InChIInChI=1S/C23H20N4O2S/c28-21(26-20-12-6-8-16-7-4-5-11-19(16)20)14-13-18-15-30-23(25-18)27-22(29)24-17-9-2-1-3-10-17/h1-12,15H,13-14H2,(H,26,28)(H2,24,25,27,29)
InChIKeySOECGGFDERHBIF-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.51
Rot. Bonds6

About N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 27453444) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID27453444
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc2ccccc12
InChIInChI=1S/C23H20N4O2S/c28-21(26-20-12-6-8-16-7-4-5-11-19(16)20)14-13-18-15-30-23(25-18)27-22(29)24-17-9-2-1-3-10-17/h1-12,15H,13-14H2,(H,26,28)(H2,24,25,27,29)
InChIKeySOECGGFDERHBIF-UHFFFAOYSA-N
XLogP5.51
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362
methyl 2-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27453750
N-cyclohexyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453366
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453324
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27377220
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide
CID 41158629
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (CID 27453444) is N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is SOECGGFDERHBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-21(26-20-12-6-8-16-7-4-5-11-19(16)20)14-13-18-15-30-23(25-18)27-22(29)24-17-9-2-1-3-10-17/h1-12,15H,13-14H2,(H,26,28)(H2,24,25,27,29).
What are the key properties of N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 416.51 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27453444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).