tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate

C24H23N3O4S — CID 57248483

IUPACtert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
SMILESCOc1cc(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc2ccccc12
InChIInChI=1S/C24H23N3O4S/c1-24(2,3)31-23(29)27-22-26-18-10-9-15(12-20(18)32-22)21(28)25-16-11-14-7-5-6-8-17(14)19(13-16)30-4/h5-13H,1-4H3,(H,25,28)(H,26,27,29)
InChIKeyOZPIDUQLMMWLAH-UHFFFAOYSA-N
MW449.53 g/mol
LogP6.06
Rot. Bonds4

About tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate

tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate (PubChem CID 57248483) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
PubChem CID57248483
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Nametert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
SMILESCOc1cc(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc2ccccc12
InChIInChI=1S/C24H23N3O4S/c1-24(2,3)31-23(29)27-22-26-18-10-9-15(12-20(18)32-22)21(28)25-16-11-14-7-5-6-8-17(14)19(13-16)30-4/h5-13H,1-4H3,(H,25,28)(H,26,27,29)
InChIKeyOZPIDUQLMMWLAH-UHFFFAOYSA-N
XLogP6.06
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 117093154
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
tert-butyl N-[6-[(3-bromo-4-pyridinyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
CID 57412036
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
tert-butyl N-[2-[[4-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930529
tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate
CID 168973718

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate (CID 57248483) is tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate is COc1cc(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)cc2ccccc12.
What is the InChIKey of tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate?
The InChIKey is OZPIDUQLMMWLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-24(2,3)31-23(29)27-22-26-18-10-9-15(12-20(18)32-22)21(28)25-16-11-14-7-5-6-8-17(14)19(13-16)30-4/h5-13H,1-4H3,(H,25,28)(H,26,27,29).
What are the key properties of tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate?
tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate has a molecular weight of 449.53 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate is sourced from PubChem (CID 57248483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).