2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C15H22N6OS — CID 95750486

IUPAC2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC[C@H]2Cn2nc(C)nc2C)n1
InChIInChI=1S/C15H22N6OS/c1-10-9-23-15(16-10)18-14(22)8-20-6-4-5-13(20)7-21-12(3)17-11(2)19-21/h9,13H,4-8H2,1-3H3,(H,16,18,22)/t13-/m0/s1
InChIKeyKCJQVXXNKYPORN-ZDUSSCGKSA-N
MW334.45 g/mol
LogP1.76
Rot. Bonds5

About 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 95750486) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID95750486
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC[C@H]2Cn2nc(C)nc2C)n1
InChIInChI=1S/C15H22N6OS/c1-10-9-23-15(16-10)18-14(22)8-20-6-4-5-13(20)7-21-12(3)17-11(2)19-21/h9,13H,4-8H2,1-3H3,(H,16,18,22)/t13-/m0/s1
InChIKeyKCJQVXXNKYPORN-ZDUSSCGKSA-N
XLogP1.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95309298
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60690531
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 95305223
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95308448
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915205
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 103441898
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95291830
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47078017
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 115963601
2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 95750486) is 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCC[C@H]2Cn2nc(C)nc2C)n1.
What is the InChIKey of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KCJQVXXNKYPORN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-10-9-23-15(16-10)18-14(22)8-20-6-4-5-13(20)7-21-12(3)17-11(2)19-21/h9,13H,4-8H2,1-3H3,(H,16,18,22)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 334.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95750486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).