N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

C17H17N5O2S3 — CID 55774580

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1
InChIInChI=1S/C17H17N5O2S3/c1-10-15(26-9-13(18)23)27-16(20-10)21-14(24)11-4-3-5-12(8-11)22-7-6-19-17(22)25-2/h3-8H,9H2,1-2H3,(H2,18,23)(H,20,21,24)
InChIKeyFICJZVDHIKTPMC-UHFFFAOYSA-N
MW419.56 g/mol
LogP3.19
Rot. Bonds7

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55774580) has the molecular formula C17H17N5O2S3 and a molecular weight of 419.56 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55774580
Molecular FormulaC17H17N5O2S3
Molecular Weight419.56 g/mol
Exact Mass419.05
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1
InChIInChI=1S/C17H17N5O2S3/c1-10-15(26-9-13(18)23)27-16(20-10)21-14(24)11-4-3-5-12(8-11)22-7-6-19-17(22)25-2/h3-8H,9H2,1-2H3,(H2,18,23)(H,20,21,24)
InChIKeyFICJZVDHIKTPMC-UHFFFAOYSA-N
XLogP3.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 39024026
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 39024284
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 46605563
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(1,3-dithiolan-2-yl)benzamide
CID 39025643
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
CID 39024155
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718
N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 109479308

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55774580) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1cccc(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is FICJZVDHIKTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S3/c1-10-15(26-9-13(18)23)27-16(20-10)21-14(24)11-4-3-5-12(8-11)22-7-6-19-17(22)25-2/h3-8H,9H2,1-2H3,(H2,18,23)(H,20,21,24).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 419.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55774580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).