2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide

C18H20N6O2S2 — CID 23742880

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOc1ccc(-c2csc(NC(=O)C(CC)Sc3ncnc(N)n3)n2)cc1
InChIInChI=1S/C18H20N6O2S2/c1-3-14(28-17-21-10-20-16(19)24-17)15(25)23-18-22-13(9-27-18)11-5-7-12(8-6-11)26-4-2/h5-10,14H,3-4H2,1-2H3,(H,22,23,25)(H2,19,20,21,24)
InChIKeyPTRJUDDQLFQVQT-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.49
Rot. Bonds8

About 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 23742880) has the molecular formula C18H20N6O2S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID23742880
Molecular FormulaC18H20N6O2S2
Molecular Weight416.53 g/mol
Exact Mass416.11
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOc1ccc(-c2csc(NC(=O)C(CC)Sc3ncnc(N)n3)n2)cc1
InChIInChI=1S/C18H20N6O2S2/c1-3-14(28-17-21-10-20-16(19)24-17)15(25)23-18-22-13(9-27-18)11-5-7-12(8-6-11)26-4-2/h5-10,14H,3-4H2,1-2H3,(H,22,23,25)(H2,19,20,21,24)
InChIKeyPTRJUDDQLFQVQT-UHFFFAOYSA-N
XLogP3.49
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 23997876
2-(4-aminophenyl)sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19630895
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18900252
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119711324
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide
CID 21232397
2-[[3-[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895080
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
8-[[3-[1-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18895512
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119711312
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23942179

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 23742880) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide is CCOc1ccc(-c2csc(NC(=O)C(CC)Sc3ncnc(N)n3)n2)cc1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is PTRJUDDQLFQVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S2/c1-3-14(28-17-21-10-20-16(19)24-17)15(25)23-18-22-13(9-27-18)11-5-7-12(8-6-11)26-4-2/h5-10,14H,3-4H2,1-2H3,(H,22,23,25)(H2,19,20,21,24).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 416.53 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 23742880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).