2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C15H24N4O3S — CID 117082069

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C15H24N4O3S/c20-11-12-2-1-4-19(12)15-17-10-13(23-15)14(21)16-3-5-18-6-8-22-9-7-18/h10,12,20H,1-9,11H2,(H,16,21)
InChIKeyOMIAJJORTQECJZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.17
Rot. Bonds6

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117082069) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID117082069
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C15H24N4O3S/c20-11-12-2-1-4-19(12)15-17-10-13(23-15)14(21)16-3-5-18-6-8-22-9-7-18/h10,12,20H,1-9,11H2,(H,16,21)
InChIKeyOMIAJJORTQECJZ-UHFFFAOYSA-N
XLogP0.17
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 176329317
[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 176329328
8-Oxa-2-azaspiro[4.5]decan-2-yl-[2-(oxetan-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 178302469
[2-(Cyclopentylamino)-1,3-thiazol-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 178304234
[2-[(3S)-3-aminopyrrolidin-1-yl]-1,3-thiazol-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 178314538
N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 139263977
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117078900
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080345
2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080482
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117080578
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080991
N-cyclopropyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117081630

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 117082069) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(N2CCCC2CO)s1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OMIAJJORTQECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c20-11-12-2-1-4-19(12)15-17-10-13(23-15)14(21)16-3-5-18-6-8-22-9-7-18/h10,12,20H,1-9,11H2,(H,16,21).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117082069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).