N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide

C23H21N5O4S2 — CID 18572169

IUPACN-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(SCC(=O)Nc2nc3ccc(C)cc3s2)n(C)c1=O
InChIInChI=1S/C23H21N5O4S2/c1-13-8-9-16-18(10-13)34-22(26-16)27-19(29)12-33-23-24-11-14(21(31)28(23)2)20(30)25-15-6-4-5-7-17(15)32-3/h4-11H,12H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyPRNABWCKJOKPOW-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.69
Rot. Bonds7

About N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide

N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide (PubChem CID 18572169) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
PubChem CID18572169
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC NameN-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(SCC(=O)Nc2nc3ccc(C)cc3s2)n(C)c1=O
InChIInChI=1S/C23H21N5O4S2/c1-13-8-9-16-18(10-13)34-22(26-16)27-19(29)12-33-23-24-11-14(21(31)28(23)2)20(30)25-15-6-4-5-7-17(15)32-3/h4-11H,12H2,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyPRNABWCKJOKPOW-UHFFFAOYSA-N
XLogP3.69
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24520938
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24523623
2-[6-amino-1-(3-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16797976
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9457701
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
CID 4592530
N-(4-methoxyphenyl)-1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide
CID 18572159
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 3186603
2-[[3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18898507
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 17447818
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4152249
3-methoxy-N-[3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912871

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide (CID 18572169) is N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(SCC(=O)Nc2nc3ccc(C)cc3s2)n(C)c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is PRNABWCKJOKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-13-8-9-16-18(10-13)34-22(26-16)27-19(29)12-33-23-24-11-14(21(31)28(23)2)20(30)25-15-6-4-5-7-17(15)32-3/h4-11H,12H2,1-3H3,(H,25,30)(H,26,27,29).
What are the key properties of N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 18572169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).