tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate

C17H27N3O4S — CID 91652392

IUPACtert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)NC2CCCCC2O)cs1
InChIInChI=1S/C17H27N3O4S/c1-17(2,3)24-16(23)18-9-8-14-19-12(10-25-14)15(22)20-11-6-4-5-7-13(11)21/h10-11,13,21H,4-9H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyAHPLYEDBTRKWBW-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate (PubChem CID 91652392) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
PubChem CID91652392
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Nametert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)NC2CCCCC2O)cs1
InChIInChI=1S/C17H27N3O4S/c1-17(2,3)24-16(23)18-9-8-14-19-12(10-25-14)15(22)20-11-6-4-5-7-13(11)21/h10-11,13,21H,4-9H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyAHPLYEDBTRKWBW-UHFFFAOYSA-N
XLogP2.24
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052793
tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052398
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-[4-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 24895318
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593
tert-butyl N-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]propyl]carbamate
CID 167230577
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate (CID 91652392) is tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc(C(=O)NC2CCCCC2O)cs1.
What is the InChIKey of tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate?
The InChIKey is AHPLYEDBTRKWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-17(2,3)24-16(23)18-9-8-14-19-12(10-25-14)15(22)20-11-6-4-5-7-13(11)21/h10-11,13,21H,4-9H2,1-3H3,(H,18,23)(H,20,22).
What are the key properties of tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate has a molecular weight of 369.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 91652392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).