N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

C9H13N3O2S — CID 76982257

IUPACN-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOC1CNCC1NC(=O)c1cscn1
InChIInChI=1S/C9H13N3O2S/c1-14-8-3-10-2-6(8)12-9(13)7-4-15-5-11-7/h4-6,8,10H,2-3H2,1H3,(H,12,13)
InChIKeyRGZUHNWULDLUDH-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.14
Rot. Bonds3

About N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 76982257) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID76982257
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOC1CNCC1NC(=O)c1cscn1
InChIInChI=1S/C9H13N3O2S/c1-14-8-3-10-2-6(8)12-9(13)7-4-15-5-11-7/h4-6,8,10H,2-3H2,1H3,(H,12,13)
InChIKeyRGZUHNWULDLUDH-UHFFFAOYSA-N
XLogP-0.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43594149
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 93205481
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103713530
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 102553557
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 43598983
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
CID 43594044
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (CID 76982257) is N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is COC1CNCC1NC(=O)c1cscn1.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RGZUHNWULDLUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-14-8-3-10-2-6(8)12-9(13)7-4-15-5-11-7/h4-6,8,10H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 76982257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).