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

C11H17N3O3S — CID 117094384

IUPACN-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C11H17N3O3S/c15-5-3-12-10(17)9-6-13-11(18-9)14-4-1-2-8(14)7-16/h6,8,15-16H,1-5,7H2,(H,12,17)
InChIKeyYECFOGREJBMCSR-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.17
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 117094384) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID117094384
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C11H17N3O3S/c15-5-3-12-10(17)9-6-13-11(18-9)14-4-1-2-8(14)7-16/h6,8,15-16H,1-5,7H2,(H,12,17)
InChIKeyYECFOGREJBMCSR-UHFFFAOYSA-N
XLogP-0.17
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 176329317
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
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone
CID 178319516
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
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-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080773
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080991
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082139
2-(ethylamino)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 117082458

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 117094384) is N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NCCO)c1cnc(N2CCCC2CO)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YECFOGREJBMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c15-5-3-12-10(17)9-6-13-11(18-9)14-4-1-2-8(14)7-16/h6,8,15-16H,1-5,7H2,(H,12,17).
What are the key properties of N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 271.34 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).