N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

C15H21N5OS2 — CID 46304722

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C15H21N5OS2/c1-5-11(22-12-7-10(4)16-8-17-12)14(21)18-15-20-19-13(23-15)6-9(2)3/h7-9,11H,5-6H2,1-4H3,(H,18,20,21)
InChIKeyOTXOUHPXQSAHRR-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.34
Rot. Bonds7

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (PubChem CID 46304722) has the molecular formula C15H21N5OS2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
PubChem CID46304722
Molecular FormulaC15H21N5OS2
Molecular Weight351.50 g/mol
Exact Mass351.12
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C15H21N5OS2/c1-5-11(22-12-7-10(4)16-8-17-12)14(21)18-15-20-19-13(23-15)6-9(2)3/h7-9,11H,5-6H2,1-4H3,(H,18,20,21)
InChIKeyOTXOUHPXQSAHRR-UHFFFAOYSA-N
XLogP3.34
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304723
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304724
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304700
ethyl 2-[2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]acetate
CID 46304781
N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304710
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 113228219
2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 106151126
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 40829981

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (CID 46304722) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is CCC(Sc1cc(C)ncn1)C(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The InChIKey is OTXOUHPXQSAHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS2/c1-5-11(22-12-7-10(4)16-8-17-12)14(21)18-15-20-19-13(23-15)6-9(2)3/h7-9,11H,5-6H2,1-4H3,(H,18,20,21).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide has a molecular weight of 351.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is sourced from PubChem (CID 46304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).