[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C14H19N5OS — CID 124758448

IUPAC[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCc1nc([C@H]2CCCN2C(=O)c2csc(C(C)C)n2)n[nH]1
InChIInChI=1S/C14H19N5OS/c1-8(2)13-16-10(7-21-13)14(20)19-6-4-5-11(19)12-15-9(3)17-18-12/h7-8,11H,4-6H2,1-3H3,(H,15,17,18)/t11-/m1/s1
InChIKeyYQACXFRCWSXROB-LLVKDONJSA-N
MW305.41 g/mol
LogP2.67
Rot. Bonds3

About [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124758448) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID124758448
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCc1nc([C@H]2CCCN2C(=O)c2csc(C(C)C)n2)n[nH]1
InChIInChI=1S/C14H19N5OS/c1-8(2)13-16-10(7-21-13)14(20)19-6-4-5-11(19)12-15-9(3)17-18-12/h7-8,11H,4-6H2,1-3H3,(H,15,17,18)/t11-/m1/s1
InChIKeyYQACXFRCWSXROB-LLVKDONJSA-N
XLogP2.67
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(1-methyl-5-propan-2-ylpyrazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969748
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491287
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99977800
(1-methylindazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 87052010
1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99994061
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623
(6-methyl-3-pyridinyl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491309
3-methyl-1-[4-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 126445130
(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 110194764
(2-chloro-5-methylsulfanylphenyl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 138049476
(5-methyl-1H-indol-2-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126446207

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 124758448) is [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is Cc1nc([C@H]2CCCN2C(=O)c2csc(C(C)C)n2)n[nH]1.
What is the InChIKey of [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is YQACXFRCWSXROB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8(2)13-16-10(7-21-13)14(20)19-6-4-5-11(19)12-15-9(3)17-18-12/h7-8,11H,4-6H2,1-3H3,(H,15,17,18)/t11-/m1/s1.
What are the key properties of [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 305.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124758448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).