[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C18H24N2O4S — CID 87148506

IUPAC[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCCCNc1nc(C(=O)c2cc(OC)c(OC)c(OC)c2)cs1
InChIInChI=1S/C18H24N2O4S/c1-5-6-7-8-19-18-20-13(11-25-18)16(21)12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20)
InChIKeyQYAXYNTWNVNWOW-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.00
Rot. Bonds10

About [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 87148506) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID87148506
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCCCNc1nc(C(=O)c2cc(OC)c(OC)c(OC)c2)cs1
InChIInChI=1S/C18H24N2O4S/c1-5-6-7-8-19-18-20-13(11-25-18)16(21)12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20)
InChIKeyQYAXYNTWNVNWOW-UHFFFAOYSA-N
XLogP4.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 53364342
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
4-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
2,5-dimethoxy-N-[3-[[4-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442779
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627

Frequently Asked Questions

What is the IUPAC name of [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 87148506) is [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is CCCCCNc1nc(C(=O)c2cc(OC)c(OC)c(OC)c2)cs1.
What is the InChIKey of [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QYAXYNTWNVNWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-5-6-7-8-19-18-20-13(11-25-18)16(21)12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20).
What are the key properties of [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 364.47 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 87148506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).