tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate

C19H20N2O2S — CID 163770147

IUPACtert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCc1ccc2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2c1
InChIInChI=1S/C19H20N2O2S/c1-12-5-6-14-10-15(8-7-13(14)9-12)16-11-24-17(20-16)21-18(22)23-19(2,3)4/h5-11H,1-4H3,(H,20,21,22)
InChIKeyMFSAWEYVLXNXQL-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.62
Rot. Bonds2

About tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 163770147) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID163770147
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Nametert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCc1ccc2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2c1
InChIInChI=1S/C19H20N2O2S/c1-12-5-6-14-10-15(8-7-13(14)9-12)16-11-24-17(20-16)21-18(22)23-19(2,3)4/h5-11H,1-4H3,(H,20,21,22)
InChIKeyMFSAWEYVLXNXQL-UHFFFAOYSA-N
XLogP5.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[4-[4-[[2-(4-methoxyanilino)acetyl]amino]phenyl]-1,3-thiazol-2-yl]carbamate
CID 87952172
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
tert-butyl N-[4-(3-amino-4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 59736955
tert-butyl N-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamothioylamino]ethyl]carbamate
CID 84560225
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
[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-[2-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 167395449
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733446
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154669134

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate (CID 163770147) is tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate is Cc1ccc2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2c1.
What is the InChIKey of tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is MFSAWEYVLXNXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-5-6-14-10-15(8-7-13(14)9-12)16-11-24-17(20-16)21-18(22)23-19(2,3)4/h5-11H,1-4H3,(H,20,21,22).
What are the key properties of tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 163770147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).