tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate

C15H27N3O2S — CID 103901675

IUPACtert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
SMILESCc1nc(C(C)NCCC(C)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C15H27N3O2S/c1-10(17-14(19)20-15(4,5)6)7-8-16-11(2)13-9-21-12(3)18-13/h9-11,16H,7-8H2,1-6H3,(H,17,19)
InChIKeyQFHIBSBLWDOXRT-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.41
Rot. Bonds6

About tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate

tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate (PubChem CID 103901675) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
PubChem CID103901675
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
SMILESCc1nc(C(C)NCCC(C)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C15H27N3O2S/c1-10(17-14(19)20-15(4,5)6)7-8-16-11(2)13-9-21-12(3)18-13/h9-11,16H,7-8H2,1-6H3,(H,17,19)
InChIKeyQFHIBSBLWDOXRT-UHFFFAOYSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 97184367
tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 125181056
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
CID 103936100
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103822890
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028
tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238734
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate (CID 103901675) is tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate is Cc1nc(C(C)NCCC(C)NC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate?
The InChIKey is QFHIBSBLWDOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-10(17-14(19)20-15(4,5)6)7-8-16-11(2)13-9-21-12(3)18-13/h9-11,16H,7-8H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate has a molecular weight of 313.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate is sourced from PubChem (CID 103901675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).