2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

C13H20N6OS — CID 72902119

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1snnc1C(C)C
InChIInChI=1S/C13H20N6OS/c1-6(2)12-9(21-19-18-12)5-15-13(20)11(14)10-7(3)16-17-8(10)4/h6,11H,5,14H2,1-4H3,(H,15,20)(H,16,17)
InChIKeyHROJCSFOBRJPOY-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.32
Rot. Bonds5

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

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (PubChem CID 72902119) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
PubChem CID72902119
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1snnc1C(C)C
InChIInChI=1S/C13H20N6OS/c1-6(2)12-9(21-19-18-12)5-15-13(20)11(14)10-7(3)16-17-8(10)4/h6,11H,5,14H2,1-4H3,(H,15,20)(H,16,17)
InChIKeyHROJCSFOBRJPOY-UHFFFAOYSA-N
XLogP1.32
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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-propan-2-yloxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
CID 74238405
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 70733601
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
CID 131066900
2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 86283902
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204858
4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 119068538
1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 72863721
(2S)-2-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propane-1,2-diamine
CID 104867732

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (CID 72902119) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCc1snnc1C(C)C.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is HROJCSFOBRJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-6(2)12-9(21-19-18-12)5-15-13(20)11(14)10-7(3)16-17-8(10)4/h6,11H,5,14H2,1-4H3,(H,15,20)(H,16,17).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72902119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).