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

C16H27N3O2S — CID 103948517

IUPACtert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
SMILESCc1cnc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C16H27N3O2S/c1-11-9-18-14(22-11)10-17-12-5-7-13(8-6-12)19-15(20)21-16(2,3)4/h9,12-13,17H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyMEXFTRAJPGTYCT-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.38
Rot. Bonds4

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

tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate (PubChem CID 103948517) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
PubChem CID103948517
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
SMILESCc1cnc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C16H27N3O2S/c1-11-9-18-14(22-11)10-17-12-5-7-13(8-6-12)19-15(20)21-16(2,3)4/h9,12-13,17H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyMEXFTRAJPGTYCT-UHFFFAOYSA-N
XLogP3.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
CID 103923191
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate
CID 97103222
tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate
CID 167800652
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate (CID 103948517) is tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate is Cc1cnc(CNC2CCC(NC(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is MEXFTRAJPGTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-11-9-18-14(22-11)10-17-12-5-7-13(8-6-12)19-15(20)21-16(2,3)4/h9,12-13,17H,5-8,10H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 325.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103948517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).