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

C19H22N4O4S — CID 90525821

IUPAC2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)c(OC)c1
InChIInChI=1S/C19H22N4O4S/c1-26-12-5-6-13(15(9-12)27-2)21-19(25)23-8-7-14-16(10-23)28-18(20-14)22-17(24)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyLWNNRINCUMGCGM-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.10
Rot. Bonds5

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

2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90525821) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90525821
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)c(OC)c1
InChIInChI=1S/C19H22N4O4S/c1-26-12-5-6-13(15(9-12)27-2)21-19(25)23-8-7-14-16(10-23)28-18(20-14)22-17(24)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyLWNNRINCUMGCGM-UHFFFAOYSA-N
XLogP3.10
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclobutanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90531391
2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529627
ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528151
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
N-(4-butoxyphenyl)-2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525845
N-[5-(2,5-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531434
2-(cyclopentylcarbamoylamino)-N-(2-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529621
2-(cyclobutanecarbonylamino)-N-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90531388
N-benzyl-2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525827
N-[5-(4-phenoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525659
2-(cyclopropanecarbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525823
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclohexanecarboxamide
CID 50832310

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90525821) is 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)c(OC)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is LWNNRINCUMGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-26-12-5-6-13(15(9-12)27-2)21-19(25)23-8-7-14-16(10-23)28-18(20-14)22-17(24)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,21,25)(H,20,22,24).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90525821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).