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

C12H18N6OS — CID 99933255

IUPAC(2S)-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-/m0/s1
InChIKeyDZYWDHWABIPYAA-NSHDSACASA-N
MW294.38 g/mol
LogP0.55
Rot. Bonds5

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

(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 99933255) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-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(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
PubChem CID99933255
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name(2S)-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-/m0/s1
InChIKeyDZYWDHWABIPYAA-NSHDSACASA-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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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 70729813
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-2-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 72918107
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(5-methyl-1,3,4-thiadiazol-2-YL)ethyl]acetamide
CID 77086552
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
CID 129613960
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 138035980
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide
CID 164641681
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 126801340
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 126820330
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 155956876
(2S,4R)-4-Amino-1-[(3,5-dimethyl-1H-pyrazol-4-YL)methyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56709160
2-amino-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethylacetamide
CID 50955053

Frequently Asked Questions

What is the IUPAC name of (2S)-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 (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 99933255) is (2S)-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 (2S)-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 (2S)-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 (2S)-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-NSHDSACASA-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-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
(2S)-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 (2S)-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 99933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).