(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H21N5O2S — CID 97131470

IUPAC(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCCN(Cc1nccs1)C(=O)[C@@H](N)c1c(C)n[nH]c1C
InChIInChI=1S/C14H21N5O2S/c1-9-12(10(2)18-17-9)13(15)14(20)19(5-6-21-3)8-11-16-4-7-22-11/h4,7,13H,5-6,8,15H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyNVCUVOXBYBKYIU-ZDUSSCGKSA-N
MW323.42 g/mol
LogP1.16
Rot. Bonds7

About (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 97131470) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID97131470
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCOCCN(Cc1nccs1)C(=O)[C@@H](N)c1c(C)n[nH]c1C
InChIInChI=1S/C14H21N5O2S/c1-9-12(10(2)18-17-9)13(15)14(20)19(5-6-21-3)8-11-16-4-7-22-11/h4,7,13H,5-6,8,15H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyNVCUVOXBYBKYIU-ZDUSSCGKSA-N
XLogP1.16
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 72848138
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(2-isopropyl-1,3-thiazol-4-YL)ethyl]acetamide
CID 72866373
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
(4-Methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389001
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
4,5-dimethyl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 137980601
[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154784039
6-oxo-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42794204
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61285057
3,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 63663241
3,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 64484666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 97131470) is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is COCCN(Cc1nccs1)C(=O)[C@@H](N)c1c(C)n[nH]c1C.
What is the InChIKey of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is NVCUVOXBYBKYIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9-12(10(2)18-17-9)13(15)14(20)19(5-6-21-3)8-11-16-4-7-22-11/h4,7,13H,5-6,8,15H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 97131470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).