6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide

C17H18N4O4S2 — CID 90530987

IUPAC6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nc4c(s3)CN(S(C)(=O)=O)CC4)[nH]c2c1
InChIInChI=1S/C17H18N4O4S2/c1-25-11-4-3-10-7-14(18-13(10)8-11)16(22)20-17-19-12-5-6-21(27(2,23)24)9-15(12)26-17/h3-4,7-8,18H,5-6,9H2,1-2H3,(H,19,20,22)
InChIKeyLUSWNHKFIBGIJO-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.20
Rot. Bonds4

About 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide

6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide (PubChem CID 90530987) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide
PubChem CID90530987
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nc4c(s3)CN(S(C)(=O)=O)CC4)[nH]c2c1
InChIInChI=1S/C17H18N4O4S2/c1-25-11-4-3-10-7-14(18-13(10)8-11)16(22)20-17-19-12-5-6-21(27(2,23)24)9-15(12)26-17/h3-4,7-8,18H,5-6,9H2,1-2H3,(H,19,20,22)
InChIKeyLUSWNHKFIBGIJO-UHFFFAOYSA-N
XLogP2.20
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90530716
2-(4-chlorophenoxy)-2-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 71788250
3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530911
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)urea
CID 90532581
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide
CID 50832606
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 90530919
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
2-methylsulfanyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530958
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)triazole-4-carboxamide
CID 71788261
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
CID 90530891
N-[5-(2,5-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531434

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide (CID 90530987) is 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)Nc3nc4c(s3)CN(S(C)(=O)=O)CC4)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide?
The InChIKey is LUSWNHKFIBGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-25-11-4-3-10-7-14(18-13(10)8-11)16(22)20-17-19-12-5-6-21(27(2,23)24)9-15(12)26-17/h3-4,7-8,18H,5-6,9H2,1-2H3,(H,19,20,22).
What are the key properties of 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide?
6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 90530987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).