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

C13H18N6OS2 — CID 3731797

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C13H18N6OS2/c1-13(2,3)7-5-21-11(16-7)19-10(20)6-22-12-17-8(14)4-9(15)18-12/h4-5H,6H2,1-3H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyFQTLQYCIXRJFEC-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.13
Rot. Bonds4

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 3731797) has the molecular formula C13H18N6OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID3731797
Molecular FormulaC13H18N6OS2
Molecular Weight338.46 g/mol
Exact Mass338.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C13H18N6OS2/c1-13(2,3)7-5-21-11(16-7)19-10(20)6-22-12-17-8(14)4-9(15)18-12/h4-5H,6H2,1-3H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyFQTLQYCIXRJFEC-UHFFFAOYSA-N
XLogP2.13
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 3173027
2-((2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 1963634
2-[(4,6-Dimethylpyrimidin-2-YL)sulfanyl]-N-(4-methyl-1,3-thiazol-2-YL)acetamide
CID 2345793
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2968230
2-[1-(2-Propyl-1,3-thiazol-4-yl)ethylsulfanyl]pyrimidine-4,6-diamine
CID 178683480
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 956543
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3169630
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 3186704
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 5035237
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-pyrimidinylsulfanyl)acetamide
CID 9457621
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 23772236
Ethyl 2-[2-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 23775402

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 3731797) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is CC(C)(C)c1csc(NC(=O)CSc2nc(N)cc(N)n2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is FQTLQYCIXRJFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS2/c1-13(2,3)7-5-21-11(16-7)19-10(20)6-22-12-17-8(14)4-9(15)18-12/h4-5H,6H2,1-3H3,(H,16,19,20)(H4,14,15,17,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 338.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3731797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).