[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C19H29N3O2S — CID 49017741

IUPAC[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H29N3O2S/c1-13-15(25-18(20-13)19(2,3)4)17(24)22-11-7-14(8-12-22)16(23)21-9-5-6-10-21/h14H,5-12H2,1-4H3
InChIKeyLEUUNDBUAQCCDE-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.22
Rot. Bonds2

About [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 49017741) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID49017741
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H29N3O2S/c1-13-15(25-18(20-13)19(2,3)4)17(24)22-11-7-14(8-12-22)16(23)21-9-5-6-10-21/h14H,5-12H2,1-4H3
InChIKeyLEUUNDBUAQCCDE-UHFFFAOYSA-N
XLogP3.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146086451
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371482
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823880
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49016384
(3aS,6aR)-2-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683598

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 49017741) is [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LEUUNDBUAQCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-13-15(25-18(20-13)19(2,3)4)17(24)22-11-7-14(8-12-22)16(23)21-9-5-6-10-21/h14H,5-12H2,1-4H3.
What are the key properties of [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 363.53 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 49017741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).