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

C14H21N5OS2 — CID 72848138

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCSCc1nc(CCNC(=O)C(N)c2c(C)n[nH]c2C)cs1
InChIInChI=1S/C14H21N5OS2/c1-8-12(9(2)19-18-8)13(15)14(20)16-5-4-10-6-22-11(17-10)7-21-3/h6,13H,4-5,7,15H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDVICYILKNHBVKU-UHFFFAOYSA-N
MW339.49 g/mol
LogP1.70
Rot. Bonds7

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

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 72848138) has the molecular formula C14H21N5OS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID72848138
Molecular FormulaC14H21N5OS2
Molecular Weight339.49 g/mol
Exact Mass339.12
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCSCc1nc(CCNC(=O)C(N)c2c(C)n[nH]c2C)cs1
InChIInChI=1S/C14H21N5OS2/c1-8-12(9(2)19-18-8)13(15)14(20)16-5-4-10-6-22-11(17-10)7-21-3/h6,13H,4-5,7,15H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDVICYILKNHBVKU-UHFFFAOYSA-N
XLogP1.70
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 70729813
(5-methyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145418
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(2-isopropyl-1,3-thiazol-4-YL)ethyl]acetamide
CID 72866373
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71684185
N-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72934460
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91843321
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 121523266
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
CID 129613960
3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 131904718
3-(5-methyl-1H-pyrazol-3-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 136571101

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 72848138) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide is CSCc1nc(CCNC(=O)C(N)c2c(C)n[nH]c2C)cs1.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is DVICYILKNHBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS2/c1-8-12(9(2)19-18-8)13(15)14(20)16-5-4-10-6-22-11(17-10)7-21-3/h6,13H,4-5,7,15H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 339.49 g/mol, XLogP of 1.70, 7 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-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 72848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).