N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

C19H20N4OS2 — CID 46304773

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C19H20N4OS2/c1-4-16(26-17-9-13(3)20-11-21-17)18(24)23-19-22-15(10-25-19)14-7-5-12(2)6-8-14/h5-11,16H,4H2,1-3H3,(H,22,23,24)
InChIKeyZYBAMFDFVGVKDI-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.73
Rot. Bonds6

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (PubChem CID 46304773) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
PubChem CID46304773
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C19H20N4OS2/c1-4-16(26-17-9-13(3)20-11-21-17)18(24)23-19-22-15(10-25-19)14-7-5-12(2)6-8-14/h5-11,16H,4H2,1-3H3,(H,22,23,24)
InChIKeyZYBAMFDFVGVKDI-UHFFFAOYSA-N
XLogP4.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]acetate
CID 46304781
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-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304864
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304724
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 23742880
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305252
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide
CID 46302059
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 46302421
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 163326048
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304937
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27241479

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (CID 46304773) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is CCC(Sc1cc(C)ncn1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The InChIKey is ZYBAMFDFVGVKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-4-16(26-17-9-13(3)20-11-21-17)18(24)23-19-22-15(10-25-19)14-7-5-12(2)6-8-14/h5-11,16H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide has a molecular weight of 384.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is sourced from PubChem (CID 46304773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).