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

C12H18N6OS — CID 99933257

IUPAC(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)[C@H](N)c2c(C)n[nH]c2C)s1
InChIInChI=1S/C12H18N6OS/c1-6-10(7(2)16-15-6)11(13)12(19)14-5-4-9-18-17-8(3)20-9/h11H,4-5,13H2,1-3H3,(H,14,19)(H,15,16)/t11-/m1/s1
InChIKeyDZYWDHWABIPYAA-LLVKDONJSA-N
MW294.38 g/mol
LogP0.55
Rot. Bonds5

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

(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 99933257) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
PubChem CID99933257
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)[C@H](N)c2c(C)n[nH]c2C)s1
InChIInChI=1S/C12H18N6OS/c1-6-10(7(2)16-15-6)11(13)12(19)14-5-4-9-18-17-8(3)20-9/h11H,4-5,13H2,1-3H3,(H,14,19)(H,15,16)/t11-/m1/s1
InChIKeyDZYWDHWABIPYAA-LLVKDONJSA-N
XLogP0.55
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 99933257) is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is Cc1nnc(CCNC(=O)[C@H](N)c2c(C)n[nH]c2C)s1.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The InChIKey is DZYWDHWABIPYAA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-6-10(7(2)16-15-6)11(13)12(19)14-5-4-9-18-17-8(3)20-9/h11H,4-5,13H2,1-3H3,(H,14,19)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 99933257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).