tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate

C18H29N3O3S — CID 71708240

IUPACtert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate
SMILESCCCc1nc(C)sc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O3S/c1-6-7-14-15(25-12(2)19-14)16(22)21-10-8-13(9-11-21)20-17(23)24-18(3,4)5/h13H,6-11H2,1-5H3,(H,20,23)
InChIKeyPKNGICYOMLHCQR-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate (PubChem CID 71708240) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate
PubChem CID71708240
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Nametert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate
SMILESCCCc1nc(C)sc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O3S/c1-6-7-14-15(25-12(2)19-14)16(22)21-10-8-13(9-11-21)20-17(23)24-18(3,4)5/h13H,6-11H2,1-5H3,(H,20,23)
InChIKeyPKNGICYOMLHCQR-UHFFFAOYSA-N
XLogP3.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate
CID 91950503
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55972015
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 155282262
2-tert-butyl-4-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69476044
4-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 174512585
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[4-[(5-formyl-2-methyl-1,3-thiazol-4-yl)oxymethyl]cyclohexyl]carbamate
CID 176961100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate (CID 71708240) is tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate is CCCc1nc(C)sc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is PKNGICYOMLHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-6-7-14-15(25-12(2)19-14)16(22)21-10-8-13(9-11-21)20-17(23)24-18(3,4)5/h13H,6-11H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 367.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 71708240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).