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

C14H21N5OS — CID 97122807

IUPAC(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)[C@H](N)c2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C14H21N5OS/c1-7-10(4)21-11(17-7)5-6-16-14(20)13(15)12-8(2)18-19-9(12)3/h13H,5-6,15H2,1-4H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyOHIRHDWFEVLNBA-CYBMUJFWSA-N
MW307.42 g/mol
LogP1.46
Rot. Bonds5

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

(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 97122807) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID97122807
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)[C@H](N)c2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C14H21N5OS/c1-7-10(4)21-11(17-7)5-6-16-14(20)13(15)12-8(2)18-19-9(12)3/h13H,5-6,15H2,1-4H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyOHIRHDWFEVLNBA-CYBMUJFWSA-N
XLogP1.46
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 119891761
(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
CID 119891763
(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
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 72902119
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 91760478
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110460143
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738
2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 86283902
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
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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-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of (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) is (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)[C@H](N)c2c(C)n[nH]c2C)sc1C.
What is the InChIKey of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is OHIRHDWFEVLNBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-7-10(4)21-11(17-7)5-6-16-14(20)13(15)12-8(2)18-19-9(12)3/h13H,5-6,15H2,1-4H3,(H,16,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.46, 5 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-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 97122807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).