6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide

C17H24N4O2S2 — CID 143593087

IUPAC6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide
SMILESCOc1ccc(-c2nc(NC(=O)CCCCCNSN)sc2C)cc1
InChIInChI=1S/C17H24N4O2S2/c1-12-16(13-7-9-14(23-2)10-8-13)21-17(24-12)20-15(22)6-4-3-5-11-19-25-18/h7-10,19H,3-6,11,18H2,1-2H3,(H,20,21,22)
InChIKeyLWDXRVGDWTXFNR-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.74
Rot. Bonds10

About 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide

6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide (PubChem CID 143593087) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound Name6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide
PubChem CID143593087
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide
SMILESCOc1ccc(-c2nc(NC(=O)CCCCCNSN)sc2C)cc1
InChIInChI=1S/C17H24N4O2S2/c1-12-16(13-7-9-14(23-2)10-8-13)21-17(24-12)20-15(22)6-4-3-5-11-19-25-18/h7-10,19H,3-6,11,18H2,1-2H3,(H,20,21,22)
InChIKeyLWDXRVGDWTXFNR-UHFFFAOYSA-N
XLogP3.74
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765

Frequently Asked Questions

What is the IUPAC name of 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide (CID 143593087) is 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide is COc1ccc(-c2nc(NC(=O)CCCCCNSN)sc2C)cc1.
What is the InChIKey of 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide?
The InChIKey is LWDXRVGDWTXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-12-16(13-7-9-14(23-2)10-8-13)21-17(24-12)20-15(22)6-4-3-5-11-19-25-18/h7-10,19H,3-6,11,18H2,1-2H3,(H,20,21,22).
What are the key properties of 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide?
6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide has a molecular weight of 380.54 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 143593087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).