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

C21H27N5O4S — CID 90529627

IUPAC2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c(OC)c1
InChIInChI=1S/C21H27N5O4S/c1-29-14-7-8-15(17(11-14)30-2)24-21(28)26-10-9-16-18(12-26)31-20(23-16)25-19(27)22-13-5-3-4-6-13/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,28)(H2,22,23,25,27)
InChIKeyJKFRGHVIBAKHQF-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.81
Rot. Bonds5

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

2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90529627) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90529627
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c(OC)c1
InChIInChI=1S/C21H27N5O4S/c1-29-14-7-8-15(17(11-14)30-2)24-21(28)26-10-9-16-18(12-26)31-20(23-16)25-19(27)22-13-5-3-4-6-13/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,28)(H2,22,23,25,27)
InChIKeyJKFRGHVIBAKHQF-UHFFFAOYSA-N
XLogP3.81
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopentylcarbamoylamino)-N-(2-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529621
2-(cyclobutanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90531391
2-(cyclopropanecarbonylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525821
ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528151
1-cyclopentyl-3-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529329
2-(cyclopentylcarbamoylamino)-N-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529624
1-cyclopentyl-3-[5-[2-(3,4-dimethoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529385
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529455
1-cyclopentyl-3-[5-(3,4-diethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529331
1-[5-(4-butoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529325

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90529627) is 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c(OC)c1.
What is the InChIKey of 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is JKFRGHVIBAKHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-29-14-7-8-15(17(11-14)30-2)24-21(28)26-10-9-16-18(12-26)31-20(23-16)25-19(27)22-13-5-3-4-6-13/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,24,28)(H2,22,23,25,27).
What are the key properties of 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoylamino)-N-(2,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90529627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).