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

C14H14ClN3O3S2 — CID 39026069

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)c(SCC(N)=O)s1
InChIInChI=1S/C14H14ClN3O3S2/c1-7-13(22-6-11(16)19)23-14(17-7)18-12(20)9-5-8(15)3-4-10(9)21-2/h3-5H,6H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyAEKDBYFWEGPGGM-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.94
Rot. Bonds6

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

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide (PubChem CID 39026069) has the molecular formula C14H14ClN3O3S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
PubChem CID39026069
Molecular FormulaC14H14ClN3O3S2
Molecular Weight371.87 g/mol
Exact Mass371.02
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)c(SCC(N)=O)s1
InChIInChI=1S/C14H14ClN3O3S2/c1-7-13(22-6-11(16)19)23-14(17-7)18-12(20)9-5-8(15)3-4-10(9)21-2/h3-5H,6H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyAEKDBYFWEGPGGM-UHFFFAOYSA-N
XLogP2.94
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-bromo-2-chlorobenzamide
CID 39023992
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 55583774
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]-6-methylpyridine-2-carboxamide
CID 38585979
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
5-chloro-2-methoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100530148
5-chloro-2-methoxy-N-[5-[2-oxo-2-[[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3469392
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
CID 39025686
5-chloro-2-methoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601782

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide (CID 39026069) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nc(C)c(SCC(N)=O)s1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide?
The InChIKey is AEKDBYFWEGPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S2/c1-7-13(22-6-11(16)19)23-14(17-7)18-12(20)9-5-8(15)3-4-10(9)21-2/h3-5H,6H2,1-2H3,(H2,16,19)(H,17,18,20).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide has a molecular weight of 371.87 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 39026069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).