[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid

C18H15N3O4S — CID 69070231

IUPAC[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)s2)cc1
InChIInChI=1S/C18H15N3O4S/c22-10-13-9-19-17(26-13)12-7-5-11(6-8-12)16(23)20-14-3-1-2-4-15(14)21-18(24)25/h1-9,21-22H,10H2,(H,20,23)(H,24,25)
InChIKeyIXKLRPJFZOLXAE-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.64
Rot. Bonds5

About [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid

[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid (PubChem CID 69070231) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid
PubChem CID69070231
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)s2)cc1
InChIInChI=1S/C18H15N3O4S/c22-10-13-9-19-17(26-13)12-7-5-11(6-8-12)16(23)20-14-3-1-2-4-15(14)21-18(24)25/h1-9,21-22H,10H2,(H,20,23)(H,24,25)
InChIKeyIXKLRPJFZOLXAE-UHFFFAOYSA-N
XLogP3.64
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 62651340
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
CID 78765064
dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol
CID 167660298
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamido-4-methylbenzoate
CID 86826393
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 110879669
N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
CID 12804212
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
CID 142858663
methyl 4-[5-(aminomethyl)-1,3-thiazol-2-yl]benzoate
CID 126697356
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid (CID 69070231) is [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid is O=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)s2)cc1.
What is the InChIKey of [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid?
The InChIKey is IXKLRPJFZOLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-10-13-9-19-17(26-13)12-7-5-11(6-8-12)16(23)20-14-3-1-2-4-15(14)21-18(24)25/h1-9,21-22H,10H2,(H,20,23)(H,24,25).
What are the key properties of [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid?
[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid has a molecular weight of 369.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 69070231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).