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

C20H27N5O3S — CID 90530019

IUPACN-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)NC(C)C)sc2C1
InChIInChI=1S/C20H27N5O3S/c1-4-28-16-8-6-5-7-14(16)22-18(26)12-25-10-9-15-17(11-25)29-20(23-15)24-19(27)21-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H2,21,23,24,27)
InChIKeyPVVBKCQCHSJNIM-UHFFFAOYSA-N
MW417.54 g/mol
LogP3.07
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide (PubChem CID 90530019) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
PubChem CID90530019
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC NameN-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)NC(C)C)sc2C1
InChIInChI=1S/C20H27N5O3S/c1-4-28-16-8-6-5-7-14(16)22-18(26)12-25-10-9-15-17(11-25)29-20(23-15)24-19(27)21-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H2,21,23,24,27)
InChIKeyPVVBKCQCHSJNIM-UHFFFAOYSA-N
XLogP3.07
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide with MolForge

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Related Compounds

ethyl N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528041
ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528028
ethyl N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528017
1-[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530083
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
ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
CID 90529038
N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530128
1-[5-[(2,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530112
1-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529859
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527111
N-[5-[2-(ethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528577
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide (CID 90530019) is N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)NC(C)C)sc2C1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The InChIKey is PVVBKCQCHSJNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-4-28-16-8-6-5-7-14(16)22-18(26)12-25-10-9-15-17(11-25)29-20(23-15)24-19(27)21-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,22,26)(H2,21,23,24,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 90530019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).