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

C12H16N4OS2 — CID 71861594

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C12H16N4OS2/c1-6-9(4)19-12(13-6)18-5-10(17)14-11-7(2)15-16-8(11)3/h5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyAPZTUZJKUAOVBB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.83
Rot. Bonds4

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 71861594) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID71861594
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C12H16N4OS2/c1-6-9(4)19-12(13-6)18-5-10(17)14-11-7(2)15-16-8(11)3/h5H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyAPZTUZJKUAOVBB-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 146131541
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 146131542
2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 167892842
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715758
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43250570
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43250632
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 43546560
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43546689
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43546931

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 71861594) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2c(C)n[nH]c2C)sc1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is APZTUZJKUAOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-6-9(4)19-12(13-6)18-5-10(17)14-11-7(2)15-16-8(11)3/h5H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 296.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 71861594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).