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

C19H25N5O3S — CID 90530128

IUPACN-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1
InChIInChI=1S/C19H25N5O3S/c1-4-27-14-7-5-13(6-8-14)21-19(26)24-10-9-15-16(11-24)28-18(22-15)23-17(25)20-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,21,26)(H2,20,22,23,25)
InChIKeyIKKAPGWGFOVKFG-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.66
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90530128) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90530128
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1
InChIInChI=1S/C19H25N5O3S/c1-4-27-14-7-5-13(6-8-14)21-19(26)24-10-9-15-16(11-24)28-18(22-15)23-17(25)20-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,21,26)(H2,20,22,23,25)
InChIKeyIKKAPGWGFOVKFG-UHFFFAOYSA-N
XLogP3.66
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylcarbamoylamino)-N-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90529624
methyl N-[5-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529132
N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530121
2-(cyclobutanecarbonylamino)-N-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90531388
1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529826
N-(4-butoxyphenyl)-2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525845
2-(propan-2-ylcarbamoylamino)-N-prop-2-enyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530154
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
2-(propan-2-ylcarbamoylamino)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788167
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90480656
1-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529958

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90530128) is N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CCOc1ccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is IKKAPGWGFOVKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-4-27-14-7-5-13(6-8-14)21-19(26)24-10-9-15-16(11-24)28-18(22-15)23-17(25)20-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,21,26)(H2,20,22,23,25).
What are the key properties of N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90530128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).