N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide

C20H23N5O4S — CID 42285719

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCOCC4)cc3C)sc2c1
InChIInChI=1S/C20H23N5O4S/c1-3-29-14-4-5-15-17(11-14)30-20(21-15)22-18(26)12-25-13(2)10-16(23-25)19(27)24-6-8-28-9-7-24/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,22,26)
InChIKeyOYPQUYMSZYJLBT-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.31
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide (PubChem CID 42285719) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
PubChem CID42285719
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCOCC4)cc3C)sc2c1
InChIInChI=1S/C20H23N5O4S/c1-3-29-14-4-5-15-17(11-14)30-20(21-15)22-18(26)12-25-13(2)10-16(23-25)19(27)24-6-8-28-9-7-24/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,22,26)
InChIKeyOYPQUYMSZYJLBT-UHFFFAOYSA-N
XLogP2.31
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25128181
Ethyl 6-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate
CID 4262324
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 2956983
N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25128180
N-(6-Ethoxy-benzothiazol-2-yl)-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 647168
2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 647890
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2089261
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 5308991
Furan-2-yl(4-(6-methoxybenzo[d]thiazol-2-yl)piperazin-1-yl)methanone
CID 7292559
(4-(6-Ethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(furan-2-yl)methanone
CID 7539030
5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221178
N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 46911060

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide (CID 42285719) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide is CCOc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCOCC4)cc3C)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
The InChIKey is OYPQUYMSZYJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-3-29-14-4-5-15-17(11-14)30-20(21-15)22-18(26)12-25-13(2)10-16(23-25)19(27)24-6-8-28-9-7-24/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,21,22,26).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 42285719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).