tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate

C16H21N3O2S — CID 162743793

IUPACtert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
SMILESCN(C)c1cccc(-c2csc(NC(=O)OC(C)(C)C)n2)c1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)18-14-17-13(10-22-14)11-7-6-8-12(9-11)19(4)5/h6-10H,1-5H3,(H,17,18,20)
InChIKeyPLNZCXZPLRXXBU-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 162743793) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
PubChem CID162743793
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
SMILESCN(C)c1cccc(-c2csc(NC(=O)OC(C)(C)C)n2)c1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)18-14-17-13(10-22-14)11-7-6-8-12(9-11)19(4)5/h6-10H,1-5H3,(H,17,18,20)
InChIKeyPLNZCXZPLRXXBU-UHFFFAOYSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 163303165
tert-butyl N-[4-(3-amino-4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 59736955
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate
CID 87284824
tert-butyl N-[4-[3-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]phenyl]-1,3-thiazol-2-yl]carbamate
CID 88907188
tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate
CID 170360331
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamothioylamino]ethyl]carbamate
CID 84560225

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate (CID 162743793) is tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate is CN(C)c1cccc(-c2csc(NC(=O)OC(C)(C)C)n2)c1.
What is the InChIKey of tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is PLNZCXZPLRXXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)21-15(20)18-14-17-13(10-22-14)11-7-6-8-12(9-11)19(4)5/h6-10H,1-5H3,(H,17,18,20).
What are the key properties of tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 319.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 162743793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).