tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate

C16H28N4O2S — CID 103922943

IUPACtert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1csnn1)C1CCCCC1
InChIInChI=1S/C16H28N4O2S/c1-16(2,3)22-15(21)18-10-14(12-7-5-4-6-8-12)17-9-13-11-23-20-19-13/h11-12,14,17H,4-10H2,1-3H3,(H,18,21)
InChIKeyQPVIEQHRYRNREV-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.10
Rot. Bonds6

About tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate

tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate (PubChem CID 103922943) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
PubChem CID103922943
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Nametert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1csnn1)C1CCCCC1
InChIInChI=1S/C16H28N4O2S/c1-16(2,3)22-15(21)18-10-14(12-7-5-4-6-8-12)17-9-13-11-23-20-19-13/h11-12,14,17H,4-10H2,1-3H3,(H,18,21)
InChIKeyQPVIEQHRYRNREV-UHFFFAOYSA-N
XLogP3.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
CID 107254453
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 106834314
tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
CID 106834309
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
CID 106834289
tert-butyl N-[2-cyclopentyl-2-[(3-methylfuran-2-yl)methylamino]ethyl]carbamate
CID 106834316
tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
CID 103923340
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
CID 103923191
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate
CID 107251827
tert-butyl N-[2-cyclopropyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]ethyl]carbamate
CID 103948853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate (CID 103922943) is tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NCc1csnn1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate?
The InChIKey is QPVIEQHRYRNREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-16(2,3)22-15(21)18-10-14(12-7-5-4-6-8-12)17-9-13-11-23-20-19-13/h11-12,14,17H,4-10H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate has a molecular weight of 340.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 103922943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).