N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H18N4O3S — CID 71700664

IUPACN-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCn1ccc2c(NC(=O)c3cnc4sc(C)cn4c3=O)cccc21
InChIInChI=1S/C19H18N4O3S/c1-12-11-23-18(25)14(10-20-19(23)27-12)17(24)21-15-4-3-5-16-13(15)6-7-22(16)8-9-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyCXTVUSDMJMWAJW-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 71700664) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID71700664
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCn1ccc2c(NC(=O)c3cnc4sc(C)cn4c3=O)cccc21
InChIInChI=1S/C19H18N4O3S/c1-12-11-23-18(25)14(10-20-19(23)27-12)17(24)21-15-4-3-5-16-13(15)6-7-22(16)8-9-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyCXTVUSDMJMWAJW-UHFFFAOYSA-N
XLogP2.92
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266724
2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18573669
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
N-ethoxy-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469740
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
CID 56763718
methyl 2-[[1-(2-methoxyethyl)indole-4-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 71701299
N-[(2-chlorophenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7260694
5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
CID 59579446
N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71753500
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266736
N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974717

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 71700664) is N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCn1ccc2c(NC(=O)c3cnc4sc(C)cn4c3=O)cccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CXTVUSDMJMWAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-11-23-18(25)14(10-20-19(23)27-12)17(24)21-15-4-3-5-16-13(15)6-7-22(16)8-9-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)indol-4-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71700664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).