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

C13H23N3O2S — CID 107250464

IUPACtert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
SMILESCCC(CNCc1nccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-10(16-12(17)18-13(2,3)4)8-14-9-11-15-6-7-19-11/h6-7,10,14H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyUQHQHBFUSZLONC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.54
Rot. Bonds6

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

tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate (PubChem CID 107250464) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
PubChem CID107250464
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
SMILESCCC(CNCc1nccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-10(16-12(17)18-13(2,3)4)8-14-9-11-15-6-7-19-11/h6-7,10,14H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyUQHQHBFUSZLONC-UHFFFAOYSA-N
XLogP2.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270
tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
CID 103714773
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]methyl]thiophen-2-yl]acetic acid
CID 107250155
tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
CID 165471034
tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
CID 107250285
tert-butyl N-[1-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250323
tert-butyl N-[1-[(3,5-dibromo-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107741164
tert-butyl N-[1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250505
tert-butyl N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250458
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate (CID 107250464) is tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate is CCC(CNCc1nccs1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate?
The InChIKey is UQHQHBFUSZLONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-10(16-12(17)18-13(2,3)4)8-14-9-11-15-6-7-19-11/h6-7,10,14H,5,8-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate has a molecular weight of 285.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).