2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide

C19H23N3O4S — CID 126486991

IUPAC2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(NC2(c3ccc4c(c3)OCO4)CC2)sc1C(=O)NCCO
InChIInChI=1S/C19H23N3O4S/c1-2-3-13-16(17(24)20-8-9-23)27-18(21-13)22-19(6-7-19)12-4-5-14-15(10-12)26-11-25-14/h4-5,10,23H,2-3,6-9,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyJYNOOMHJJKWMCY-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.65
Rot. Bonds8

About 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide

2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide (PubChem CID 126486991) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide
PubChem CID126486991
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(NC2(c3ccc4c(c3)OCO4)CC2)sc1C(=O)NCCO
InChIInChI=1S/C19H23N3O4S/c1-2-3-13-16(17(24)20-8-9-23)27-18(21-13)22-19(6-7-19)12-4-5-14-15(10-12)26-11-25-14/h4-5,10,23H,2-3,6-9,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyJYNOOMHJJKWMCY-UHFFFAOYSA-N
XLogP2.65
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate;ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-propyl-1,3-thiazole-5-carboxylate;methane
CID 162017781
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
2-(1,3-benzodioxol-5-ylmethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 117085721
N-(1,3-benzodioxol-5-ylmethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72911057
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-pentylurea
CID 113215989
ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033000
N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-(2,2-dimethyl-1-piperidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 126487073
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
6-(1,3-benzodioxol-5-ylamino)-N-propylpyridazine-3-carboxamide
CID 109109368
N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16674785
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 119506283

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide (CID 126486991) is 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(NC2(c3ccc4c(c3)OCO4)CC2)sc1C(=O)NCCO.
What is the InChIKey of 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is JYNOOMHJJKWMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-3-13-16(17(24)20-8-9-23)27-18(21-13)22-19(6-7-19)12-4-5-14-15(10-12)26-11-25-14/h4-5,10,23H,2-3,6-9,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide?
2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]amino]-N-(2-hydroxyethyl)-4-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126486991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).