2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid

C14H14N4O4S — CID 18322900

IUPAC2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H14N4O4S/c19-11(20)7-15-12(21)10-8-23-14(17-10)18-13(22)16-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,21)(H,19,20)(H2,16,17,18,22)
InChIKeyAHYQGKFPUGXUNU-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.28
Rot. Bonds6

About 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 18322900) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID18322900
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H14N4O4S/c19-11(20)7-15-12(21)10-8-23-14(17-10)18-13(22)16-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,21)(H,19,20)(H2,16,17,18,22)
InChIKeyAHYQGKFPUGXUNU-UHFFFAOYSA-N
XLogP1.28
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

tert-butyl 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetate
CID 56989070
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
ethyl 6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]-5-oxohexanoate
CID 18323041
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
3-(benzylcarbamoyl)-6-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 18323121
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
3-[[(2R)-2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]propanoyl]amino]-3-(3,5-dichlorophenyl)propanoic acid
CID 139937975
(propanoylamino) 2-[2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]phenyl]acetate
CID 174390395

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 18322900) is 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1.
What is the InChIKey of 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is AHYQGKFPUGXUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c19-11(20)7-15-12(21)10-8-23-14(17-10)18-13(22)16-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,21)(H,19,20)(H2,16,17,18,22).
What are the key properties of 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 334.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 18322900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).