N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide

C24H33N3OS — CID 59866175

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(N3CCCCC3)c2)n1CC1CC1
InChIInChI=1S/C24H33N3OS/c1-17-21(24(2,3)4)29-23(27(17)16-18-11-12-18)25-22(28)19-9-8-10-20(15-19)26-13-6-5-7-14-26/h8-10,15,18H,5-7,11-14,16H2,1-4H3/b25-23-
InChIKeyVHXJBROHQAKCOE-BZZOAKBMSA-N
MW411.62 g/mol
LogP5.30
Rot. Bonds4

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide (PubChem CID 59866175) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide
PubChem CID59866175
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(N3CCCCC3)c2)n1CC1CC1
InChIInChI=1S/C24H33N3OS/c1-17-21(24(2,3)4)29-23(27(17)16-18-11-12-18)25-22(28)19-9-8-10-20(15-19)26-13-6-5-7-14-26/h8-10,15,18H,5-7,11-14,16H2,1-4H3/b25-23-
InChIKeyVHXJBROHQAKCOE-BZZOAKBMSA-N
XLogP5.30
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide
CID 59865886
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide
CID 59866098
3-bromo-N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide
CID 59865923
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide
CID 59866120
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone
CID 136553816
N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 59865780
N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 59865736
5-(azepan-1-yl)benzene-1,3-dicarboxylic acid
CID 79694523
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 167812342

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide (CID 59866175) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(N3CCCCC3)c2)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide?
The InChIKey is VHXJBROHQAKCOE-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-17-21(24(2,3)4)29-23(27(17)16-18-11-12-18)25-22(28)19-9-8-10-20(15-19)26-13-6-5-7-14-26/h8-10,15,18H,5-7,11-14,16H2,1-4H3/b25-23-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide has a molecular weight of 411.62 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 59866175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).