(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate

C18H15N3O3S — CID 78765064

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCc2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H15N3O3S/c19-18(23)21-14-8-6-13(7-9-14)17(22)24-11-15-10-20-16(25-15)12-4-2-1-3-5-12/h1-10H,11H2,(H3,19,21,23)
InChIKeyDLSDYXWTWXUGMF-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

About (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate

(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate (PubChem CID 78765064) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
PubChem CID78765064
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCc2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H15N3O3S/c19-18(23)21-14-8-6-13(7-9-14)17(22)24-11-15-10-20-16(25-15)12-4-2-1-3-5-12/h1-10H,11H2,(H3,19,21,23)
InChIKeyDLSDYXWTWXUGMF-UHFFFAOYSA-N
XLogP3.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamido-4-methylbenzoate
CID 86826393
(2-phenyl-1,3-thiazol-5-yl)methyl 5-fluoropyridine-3-carboxylate
CID 154750246
(2-phenyl-1,3-thiazol-5-yl)methyl 3-(methanesulfonamido)benzoate
CID 2547440
(2-phenyl-1,3-thiazol-5-yl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78827542
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760384
methyl 4-[5-(aminomethyl)-1,3-thiazol-2-yl]benzoate
CID 126697356
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971
(2-chloro-1,3-thiazol-5-yl)methyl 4-iodobenzoate
CID 1479754
(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate
CID 97157485
(4-methylsulfanylphenyl)methyl 4-(carbamoylamino)benzoate
CID 2528078
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate (CID 78765064) is (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate is NC(=O)Nc1ccc(C(=O)OCc2cnc(-c3ccccc3)s2)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate?
The InChIKey is DLSDYXWTWXUGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c19-18(23)21-14-8-6-13(7-9-14)17(22)24-11-15-10-20-16(25-15)12-4-2-1-3-5-12/h1-10H,11H2,(H3,19,21,23).
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate?
(2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl 4-(carbamoylamino)benzoate is sourced from PubChem (CID 78765064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).