(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

C15H23N5OS — CID 97121974

IUPAC(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1[C@@H](N)C(=O)NCCc1csc(C(C)C)n1
InChIInChI=1S/C15H23N5OS/c1-8(2)15-18-11(7-22-15)5-6-17-14(21)13(16)12-9(3)19-20-10(12)4/h7-8,13H,5-6,16H2,1-4H3,(H,17,21)(H,19,20)/t13-/m1/s1
InChIKeyUARHIANYTNRAPD-CYBMUJFWSA-N
MW321.45 g/mol
LogP1.97
Rot. Bonds6

About (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 97121974) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID97121974
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1[C@@H](N)C(=O)NCCc1csc(C(C)C)n1
InChIInChI=1S/C15H23N5OS/c1-8(2)15-18-11(7-22-15)5-6-17-14(21)13(16)12-9(3)19-20-10(12)4/h7-8,13H,5-6,16H2,1-4H3,(H,17,21)(H,19,20)/t13-/m1/s1
InChIKeyUARHIANYTNRAPD-CYBMUJFWSA-N
XLogP1.97
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 97122807
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 72902119
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
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CID 18758998
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CID 125132098
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 126782331
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 97121974) is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCc1csc(C(C)C)n1.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is UARHIANYTNRAPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-8(2)15-18-11(7-22-15)5-6-17-14(21)13(16)12-9(3)19-20-10(12)4/h7-8,13H,5-6,16H2,1-4H3,(H,17,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97121974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).