tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate

C17H29N3O2S — CID 103741068

IUPACtert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
SMILESCCc1ncc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H29N3O2S/c1-5-15-19-11-14(23-15)10-18-12-6-8-13(9-7-12)20-16(21)22-17(2,3)4/h11-13,18H,5-10H2,1-4H3,(H,20,21)
InChIKeyMPKCKHFUJFSUQD-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.63
Rot. Bonds5

About tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate

tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate (PubChem CID 103741068) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
PubChem CID103741068
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
SMILESCCc1ncc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H29N3O2S/c1-5-15-19-11-14(23-15)10-18-12-6-8-13(9-7-12)20-16(21)22-17(2,3)4/h11-13,18H,5-10H2,1-4H3,(H,20,21)
InChIKeyMPKCKHFUJFSUQD-UHFFFAOYSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 60981942
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
CID 103923191
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121
[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]-1,3-thiazol-5-yl] ethanesulfonate
CID 135323560
tert-butyl (3S)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 71630557

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate (CID 103741068) is tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate is CCc1ncc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is MPKCKHFUJFSUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-5-15-19-11-14(23-15)10-18-12-6-8-13(9-7-12)20-16(21)22-17(2,3)4/h11-13,18H,5-10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 339.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103741068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).