2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C21H22N4O6S — CID 90526747

IUPAC2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1cc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O6S/c1-28-15-9-12(10-16(29-2)18(15)30-3)22-21(27)25-7-6-13-17(11-25)32-20(23-13)24-19(26)14-5-4-8-31-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeyWLTCWLMCCIAWNL-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.60
Rot. Bonds6

About 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90526747) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90526747
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC Name2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1cc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O6S/c1-28-15-9-12(10-16(29-2)18(15)30-3)22-21(27)25-7-6-13-17(11-25)32-20(23-13)24-19(26)14-5-4-8-31-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeyWLTCWLMCCIAWNL-UHFFFAOYSA-N
XLogP3.60
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526763
N-[5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526475
N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526767
N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528632
N-[5-[3-(2-methoxyphenyl)-1-methylpyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526603
N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526439
N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 56765082
N-[5-(cyclopentanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526442
N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526783
methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 40946616
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526522
N-(2,3-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 56765121

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90526747) is 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1cc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc(OC)c1OC.
What is the InChIKey of 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is WLTCWLMCCIAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-28-15-9-12(10-16(29-2)18(15)30-3)22-21(27)25-7-6-13-17(11-25)32-20(23-13)24-19(26)14-5-4-8-31-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,27)(H,23,24,26).
What are the key properties of 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-N-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90526747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).