N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide

C16H21N3O4S — CID 117092377

IUPACN-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C16H21N3O4S/c1-5-6-17-15(20)13-9-18-16(24-13)19-10-7-11(21-2)14(23-4)12(8-10)22-3/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGWEBRGRORGHLDO-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.05
Rot. Bonds8

About N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide

N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide (PubChem CID 117092377) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
PubChem CID117092377
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C16H21N3O4S/c1-5-6-17-15(20)13-9-18-16(24-13)19-10-7-11(21-2)14(23-4)12(8-10)22-3/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGWEBRGRORGHLDO-UHFFFAOYSA-N
XLogP3.05
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
2-(pyrimidin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117093519
2-(pyrazin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117086063
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109202633
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
2-(1,3-benzodioxol-5-ylmethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 117085721
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 58688654
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide (CID 117092377) is N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(Nc2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is GWEBRGRORGHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-5-6-17-15(20)13-9-18-16(24-13)19-10-7-11(21-2)14(23-4)12(8-10)22-3/h7-9H,5-6H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide?
N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117092377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).