(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C13H18N6OS — CID 95314731

IUPAC(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C13H18N6OS/c1-10(12(20)17-13-15-4-6-21-13)19-5-2-3-11(19)7-18-9-14-8-16-18/h4,6,8-11H,2-3,5,7H2,1H3,(H,15,17,20)/t10-,11-/m1/s1
InChIKeyNTPZGADNEZSDNI-GHMZBOCLSA-N
MW306.39 g/mol
LogP1.23
Rot. Bonds5

About (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95314731) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95314731
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C13H18N6OS/c1-10(12(20)17-13-15-4-6-21-13)19-5-2-3-11(19)7-18-9-14-8-16-18/h4,6,8-11H,2-3,5,7H2,1H3,(H,15,17,20)/t10-,11-/m1/s1
InChIKeyNTPZGADNEZSDNI-GHMZBOCLSA-N
XLogP1.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129461455
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95323473
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609906
(2S)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95609865
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314664
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032736
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032737
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 56780492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95314731) is (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H]1Cn1cncn1.
What is the InChIKey of (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is NTPZGADNEZSDNI-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-10(12(20)17-13-15-4-6-21-13)19-5-2-3-11(19)7-18-9-14-8-16-18/h4,6,8-11H,2-3,5,7H2,1H3,(H,15,17,20)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 306.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95314731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).