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

C14H24N4O2S — CID 103923191

IUPACtert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2csnn2)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15-8-12-9-21-18-17-12/h9-11,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyUXGGLTQKQVVLSH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.46
Rot. Bonds4

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

tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate (PubChem CID 103923191) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
PubChem CID103923191
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nametert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2csnn2)CC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15-8-12-9-21-18-17-12/h9-11,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyUXGGLTQKQVVLSH-UHFFFAOYSA-N
XLogP2.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
CID 103923340
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
CID 103922943
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121
tert-butyl N-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]carbamate
CID 107648652
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate (CID 103923191) is tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCc2csnn2)CC1.
What is the InChIKey of tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate?
The InChIKey is UXGGLTQKQVVLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15-8-12-9-21-18-17-12/h9-11,15H,4-8H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate has a molecular weight of 312.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103923191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).