N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

C15H15N5O3S — CID 72897828

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESNc1nc(CCNC(=O)c2ccc(N3CC(=O)NC3=O)cc2)cs1
InChIInChI=1S/C15H15N5O3S/c16-14-18-10(8-24-14)5-6-17-13(22)9-1-3-11(4-2-9)20-7-12(21)19-15(20)23/h1-4,8H,5-7H2,(H2,16,18)(H,17,22)(H,19,21,23)
InChIKeyRYOMSSRSJLCMHL-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.75
Rot. Bonds5

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide (PubChem CID 72897828) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
PubChem CID72897828
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESNc1nc(CCNC(=O)c2ccc(N3CC(=O)NC3=O)cc2)cs1
InChIInChI=1S/C15H15N5O3S/c16-14-18-10(8-24-14)5-6-17-13(22)9-1-3-11(4-2-9)20-7-12(21)19-15(20)23/h1-4,8H,5-7H2,(H2,16,18)(H,17,22)(H,19,21,23)
InChIKeyRYOMSSRSJLCMHL-UHFFFAOYSA-N
XLogP0.75
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 72888492
4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 118764526
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(3-fluorophenyl)benzamide
CID 131899873
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70756654
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide (CID 72897828) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide is Nc1nc(CCNC(=O)c2ccc(N3CC(=O)NC3=O)cc2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The InChIKey is RYOMSSRSJLCMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c16-14-18-10(8-24-14)5-6-17-13(22)9-1-3-11(4-2-9)20-7-12(21)19-15(20)23/h1-4,8H,5-7H2,(H2,16,18)(H,17,22)(H,19,21,23).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide has a molecular weight of 345.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 72897828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).