N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide

C24H22N4O4S2 — CID 44608627

IUPACN-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
SMILESCOc1cccc(-c2oc(C)nc2C(=O)N2CCSC2CNC(=O)c2cccc3ncsc23)c1
InChIInChI=1S/C24H22N4O4S2/c1-14-27-20(21(32-14)15-5-3-6-16(11-15)31-2)24(30)28-9-10-33-19(28)12-25-23(29)17-7-4-8-18-22(17)34-13-26-18/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,25,29)
InChIKeyBOQBWULYDCGRQT-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.21
Rot. Bonds6

About N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide

N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide (PubChem CID 44608627) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
PubChem CID44608627
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC NameN-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
SMILESCOc1cccc(-c2oc(C)nc2C(=O)N2CCSC2CNC(=O)c2cccc3ncsc23)c1
InChIInChI=1S/C24H22N4O4S2/c1-14-27-20(21(32-14)15-5-3-6-16(11-15)31-2)24(30)28-9-10-33-19(28)12-25-23(29)17-7-4-8-18-22(17)34-13-26-18/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,25,29)
InChIKeyBOQBWULYDCGRQT-UHFFFAOYSA-N
XLogP4.21
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 67262584
N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262712
N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262609
2-methoxy-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyridine-3-carboxamide
CID 67262464
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 67262727
N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262660
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67262580
1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 44609750
N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
CID 140822101
6-methyl-N-[[(4R)-3-[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25072166
(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 68591523
N-[[(1R,3R,4S)-2-[5-(3-chlorophenyl)-2-[ethyl(methyl)amino]-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 66865648

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide (CID 44608627) is N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide is COc1cccc(-c2oc(C)nc2C(=O)N2CCSC2CNC(=O)c2cccc3ncsc23)c1.
What is the InChIKey of N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide?
The InChIKey is BOQBWULYDCGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-14-27-20(21(32-14)15-5-3-6-16(11-15)31-2)24(30)28-9-10-33-19(28)12-25-23(29)17-7-4-8-18-22(17)34-13-26-18/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,25,29).
What are the key properties of N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide?
N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 44608627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).