(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C14H19N5OS — CID 95354497

IUPAC(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C14H19N5OS/c1-11(13(20)17-14-15-6-9-21-14)19-8-2-4-12(19)10-18-7-3-5-16-18/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,15,17,20)/t11-,12+/m0/s1
InChIKeySEWDGSSXDSAEOD-NWDGAFQWSA-N
MW305.41 g/mol
LogP1.83
Rot. Bonds5

About (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95354497) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95354497
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C14H19N5OS/c1-11(13(20)17-14-15-6-9-21-14)19-8-2-4-12(19)10-18-7-3-5-16-18/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,15,17,20)/t11-,12+/m0/s1
InChIKeySEWDGSSXDSAEOD-NWDGAFQWSA-N
XLogP1.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129446573
(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 129446576
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032737
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032736
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 56780492
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95354497) is (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SEWDGSSXDSAEOD-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11(13(20)17-14-15-6-9-21-14)19-8-2-4-12(19)10-18-7-3-5-16-18/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,15,17,20)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 305.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95354497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).