tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate

C16H27N3O2S — CID 75408340

IUPACtert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate
SMILESCN(Cc1cscn1)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)21-15(20)18-12-5-7-14(8-6-12)19(4)9-13-10-22-11-17-13/h10-12,14H,5-9H2,1-4H3,(H,18,20)
InChIKeyWTWHWWDWDACDMM-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate (PubChem CID 75408340) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate
PubChem CID75408340
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate
SMILESCN(Cc1cscn1)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)21-15(20)18-12-5-7-14(8-6-12)19(4)9-13-10-22-11-17-13/h10-12,14H,5-9H2,1-4H3,(H,18,20)
InChIKeyWTWHWWDWDACDMM-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53604515
Tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827319
Tert-butyl 4-[methyl(1,3-thiazol-4-ylmethyl)amino]piperidine-1-carboxylate
CID 71862833
tert-butyl (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75434857
tert-butyl N-{[2-(aminomethyl)-1,3-thiazol-4-yl]methyl}carbamate
CID 83671482
tert-butyl (2R)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxylate
CID 99817080
tert-butyl N-[(3S)-2-(1,3-thiazol-4-yl)piperidin-3-yl]carbamate
CID 134967635
tert-butyl N-[2,2-difluoro-3-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 104954017
tert-butyl N-[2,2-difluoro-3-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 104955549
tert-butyl N-{[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl}carbamate
CID 165928555
[2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoyloxy)propyl] N-octadecylcarbamate
CID 19829230
tert-Butyl 4-(thiazol-4-ylmethyl)piperazine-1-carboxylate
CID 46867021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate (CID 75408340) is tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate is CN(Cc1cscn1)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate?
The InChIKey is WTWHWWDWDACDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-16(2,3)21-15(20)18-12-5-7-14(8-6-12)19(4)9-13-10-22-11-17-13/h10-12,14H,5-9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate has a molecular weight of 325.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 75408340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).