N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide

C25H22N4O2S — CID 174372656

IUPACN-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)N(C(N)=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H22N4O2S/c1-18(30)29(23(26)31)22-17-32-24(27-22)28-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H2,26,31)(H,27,28)
InChIKeyDOCSOEMBXDZLIG-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.98
Rot. Bonds6

About N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide

N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 174372656) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID174372656
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)N(C(N)=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H22N4O2S/c1-18(30)29(23(26)31)22-17-32-24(27-22)28-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H2,26,31)(H,27,28)
InChIKeyDOCSOEMBXDZLIG-UHFFFAOYSA-N
XLogP4.98
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 73078134
(2E)-2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 173435729
2-ethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide
CID 54390459
2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetamide
CID 57294159
2-[(2S)-1-amino-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 139626864
azane;2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 173355793
(2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 7156990
[2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl] 2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54189993
(2Z)-2-benzoyloxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 14850487
2-(methoxyamino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
CID 142632003
methyl (2Z)-2-(trideuteriomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 71752859
ethyl 2-(fluoromethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 54364903

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide (CID 174372656) is N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide is CC(=O)N(C(N)=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DOCSOEMBXDZLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-18(30)29(23(26)31)22-17-32-24(27-22)28-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3,(H2,26,31)(H,27,28).
What are the key properties of N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide?
N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-[2-(tritylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 174372656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).