[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid

C18H16N4O4S — CID 87194810

IUPAC[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3csc(NC(=O)O)n3)ccc2N)cc1
InChIInChI=1S/C18H16N4O4S/c1-26-12-5-2-10(3-6-12)16(23)20-14-8-11(4-7-13(14)19)15-9-27-17(21-15)22-18(24)25/h2-9H,19H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyVUEJBSJJJZQFJF-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.74
Rot. Bonds5

About [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid

[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87194810) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid
PubChem CID87194810
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3csc(NC(=O)O)n3)ccc2N)cc1
InChIInChI=1S/C18H16N4O4S/c1-26-12-5-2-10(3-6-12)16(23)20-14-8-11(4-7-13(14)19)15-9-27-17(21-15)22-18(24)25/h2-9H,19H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyVUEJBSJJJZQFJF-UHFFFAOYSA-N
XLogP3.74
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 8747992
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid (CID 87194810) is [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid is COc1ccc(C(=O)Nc2cc(-c3csc(NC(=O)O)n3)ccc2N)cc1.
What is the InChIKey of [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is VUEJBSJJJZQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-26-12-5-2-10(3-6-12)16(23)20-14-8-11(4-7-13(14)19)15-9-27-17(21-15)22-18(24)25/h2-9H,19H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid?
[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 384.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87194810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).