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

C13H18N4OS2 — CID 75399503

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide
SMILESCc1nc(C)c(CSCC(=O)Nc2c(C)n[nH]c2C)s1
InChIInChI=1S/C13H18N4OS2/c1-7-11(20-10(4)14-7)5-19-6-12(18)15-13-8(2)16-17-9(13)3/h5-6H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyPNTLSUQXLXUCNL-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.97
Rot. Bonds5

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide (PubChem CID 75399503) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide
PubChem CID75399503
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide
SMILESCc1nc(C)c(CSCC(=O)Nc2c(C)n[nH]c2C)s1
InChIInChI=1S/C13H18N4OS2/c1-7-11(20-10(4)14-7)5-19-6-12(18)15-13-8(2)16-17-9(13)3/h5-6H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyPNTLSUQXLXUCNL-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71893485
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72114659
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
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 71861594
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 147962150
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715758
2-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38105261
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide (CID 75399503) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide is Cc1nc(C)c(CSCC(=O)Nc2c(C)n[nH]c2C)s1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is PNTLSUQXLXUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-7-11(20-10(4)14-7)5-19-6-12(18)15-13-8(2)16-17-9(13)3/h5-6H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 310.45 g/mol, XLogP of 2.97, 5 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-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 75399503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).