1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C23H32N4O5S — CID 90529826

IUPAC1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCCOc1cc(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc(OCC)c1OCC
InChIInChI=1S/C23H32N4O5S/c1-6-30-17-11-15(12-18(31-7-2)20(17)32-8-3)21(28)27-10-9-16-19(13-27)33-23(25-16)26-22(29)24-14(4)5/h11-12,14H,6-10,13H2,1-5H3,(H2,24,25,26,29)
InChIKeyGEDOJYRCAUXGCZ-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.07
Rot. Bonds9

About 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529826) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
PubChem CID90529826
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCCOc1cc(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc(OCC)c1OCC
InChIInChI=1S/C23H32N4O5S/c1-6-30-17-11-15(12-18(31-7-2)20(17)32-8-3)21(28)27-10-9-16-19(13-27)33-23(25-16)26-22(29)24-14(4)5/h11-12,14H,6-10,13H2,1-5H3,(H2,24,25,26,29)
InChIKeyGEDOJYRCAUXGCZ-UHFFFAOYSA-N
XLogP4.07
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530128
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-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529859
1-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529958
1-propan-2-yl-3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529853
N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90530019
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844
3,4,5-triethoxy-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532439
1-propan-2-yl-3-[5-[3-(tetrazol-1-yl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529727
1-cyclopentyl-3-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529329
1-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529729

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The IUPAC name of 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) is 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The canonical SMILES for 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CCOc1cc(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc(OCC)c1OCC.
What is the InChIKey of 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The InChIKey is GEDOJYRCAUXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-6-30-17-11-15(12-18(31-7-2)20(17)32-8-3)21(28)27-10-9-16-19(13-27)33-23(25-16)26-22(29)24-14(4)5/h11-12,14H,6-10,13H2,1-5H3,(H2,24,25,26,29).
What are the key properties of 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 476.60 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[5-(3,4,5-triethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).