N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C24H35N3O3S — CID 16845047

IUPACN-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC3CCCCCCCCCCC3)cs2)c(OC)c1
InChIInChI=1S/C24H35N3O3S/c1-29-19-14-15-20(22(16-19)30-2)26-24-27-21(17-31-24)23(28)25-18-12-10-8-6-4-3-5-7-9-11-13-18/h14-18H,3-13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUNICRSUKJQUIGE-UHFFFAOYSA-N
MW445.63 g/mol
LogP6.31
Rot. Bonds6

About N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16845047) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16845047
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC NameN-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC3CCCCCCCCCCC3)cs2)c(OC)c1
InChIInChI=1S/C24H35N3O3S/c1-29-19-14-15-20(22(16-19)30-2)26-24-27-21(17-31-24)23(28)25-18-12-10-8-6-4-3-5-7-9-11-13-18/h14-18H,3-13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUNICRSUKJQUIGE-UHFFFAOYSA-N
XLogP6.31
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.63
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
N-cyclopentyl-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915218
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955163
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
dimethyl 2-[[2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955122
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16955129
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955046

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16845047) is N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NC3CCCCCCCCCCC3)cs2)c(OC)c1.
What is the InChIKey of N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is UNICRSUKJQUIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-29-19-14-15-20(22(16-19)30-2)26-24-27-21(17-31-24)23(28)25-18-12-10-8-6-4-3-5-7-9-11-13-18/h14-18H,3-13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 445.63 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16845047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).