N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C15H20N4OS2 — CID 2968230

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C15H20N4OS2/c1-9-6-10(2)17-13(16-9)22-8-12(20)19-14-18-11(7-21-14)15(3,4)5/h6-7H,8H2,1-5H3,(H,18,19,20)
InChIKeyJGQYLBIQRXXBQC-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.58
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2968230) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2968230
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C15H20N4OS2/c1-9-6-10(2)17-13(16-9)22-8-12(20)19-14-18-11(7-21-14)15(3,4)5/h6-7H,8H2,1-5H3,(H,18,19,20)
InChIKeyJGQYLBIQRXXBQC-UHFFFAOYSA-N
XLogP3.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
4-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3-thiazol-2-amine
CID 683952
Ethyl 2-(2-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)thiazol-4-yl)acetate
CID 1538562
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 16487936
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2059454
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8002410
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3132109
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47110332
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3434391
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 694062
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2170624
Cambridge id 6914286
CID 2292768

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 2968230) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JGQYLBIQRXXBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-9-6-10(2)17-13(16-9)22-8-12(20)19-14-18-11(7-21-14)15(3,4)5/h6-7H,8H2,1-5H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 336.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2968230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).