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

C17H29N3O2S — CID 97103222

IUPACtert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate
SMILESCc1ncc([C@@H](C)NC2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H29N3O2S/c1-11(15-10-18-12(2)23-15)19-13-6-8-14(9-7-13)20-16(21)22-17(3,4)5/h10-11,13-14,19H,6-9H2,1-5H3,(H,20,21)/t11-,13?,14?/m1/s1
InChIKeyMYNDYGVZVLRXPF-LMWSTFAQSA-N
MW339.51 g/mol
LogP3.94
Rot. Bonds4

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

tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate (PubChem CID 97103222) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate
PubChem CID97103222
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate
SMILESCc1ncc([C@@H](C)NC2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H29N3O2S/c1-11(15-10-18-12(2)23-15)19-13-6-8-14(9-7-13)20-16(21)22-17(3,4)5/h10-11,13-14,19H,6-9H2,1-5H3,(H,20,21)/t11-,13?,14?/m1/s1
InChIKeyMYNDYGVZVLRXPF-LMWSTFAQSA-N
XLogP3.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
CID 97103228
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
tert-butyl N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
CID 103715526
tert-butyl N-[3-(2-methyl-1,3-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 129216742
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
tert-butyl N-[1-[N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate (CID 97103222) is tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate is Cc1ncc([C@@H](C)NC2CCC(NC(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate?
The InChIKey is MYNDYGVZVLRXPF-LMWSTFAQSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-11(15-10-18-12(2)23-15)19-13-6-8-14(9-7-13)20-16(21)22-17(3,4)5/h10-11,13-14,19H,6-9H2,1-5H3,(H,20,21)/t11-,13?,14?/m1/s1.
What are the key properties of tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate?
tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate has a molecular weight of 339.51 g/mol, XLogP of 3.94, 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-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 97103222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).