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

C12H19N3O2S — CID 117080991

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C12H19N3O2S/c1-2-5-13-11(17)10-7-14-12(18-10)15-6-3-4-9(15)8-16/h7,9,16H,2-6,8H2,1H3,(H,13,17)
InChIKeyXPPCDEGXAYKAOC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.24
Rot. Bonds5

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

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117080991) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117080991
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C12H19N3O2S/c1-2-5-13-11(17)10-7-14-12(18-10)15-6-3-4-9(15)8-16/h7,9,16H,2-6,8H2,1H3,(H,13,17)
InChIKeyXPPCDEGXAYKAOC-UHFFFAOYSA-N
XLogP1.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[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-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080499
2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080773
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
N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
CID 117082522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide (CID 117080991) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(N2CCCC2CO)s1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is XPPCDEGXAYKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-5-13-11(17)10-7-14-12(18-10)15-6-3-4-9(15)8-16/h7,9,16H,2-6,8H2,1H3,(H,13,17).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).