(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C15H17N7OS — CID 124756628

IUPAC(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](Cn1cncn1)C(=O)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C15H17N7OS/c1-11(7-22-10-16-9-20-22)14(23)19-6-3-12-8-24-15(21-12)13-17-4-2-5-18-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyUAJSDVJERYIIDF-LLVKDONJSA-N
MW343.42 g/mol
LogP1.19
Rot. Bonds7

About (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 124756628) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID124756628
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](Cn1cncn1)C(=O)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C15H17N7OS/c1-11(7-22-10-16-9-20-22)14(23)19-6-3-12-8-24-15(21-12)13-17-4-2-5-18-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyUAJSDVJERYIIDF-LLVKDONJSA-N
XLogP1.19
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
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(2R)-2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125166639
(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125446584
2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
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N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
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(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
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1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 124756628) is (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is C[C@H](Cn1cncn1)C(=O)NCCc1csc(-c2ncccn2)n1.
What is the InChIKey of (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UAJSDVJERYIIDF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-11(7-22-10-16-9-20-22)14(23)19-6-3-12-8-24-15(21-12)13-17-4-2-5-18-13/h2,4-5,8-11H,3,6-7H2,1H3,(H,19,23)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 343.42 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 124756628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).