tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate

C18H20N4O3S — CID 168973718

IUPACtert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate
SMILESCOc1cc(Nc2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)ccn1
InChIInChI=1S/C18H20N4O3S/c1-18(2,3)25-17(23)22-16-21-13-6-5-11(9-14(13)26-16)20-12-7-8-19-15(10-12)24-4/h5-10H,1-4H3,(H,19,20)(H,21,22,23)
InChIKeyVLWRDMSVLQNGQX-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate

tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate (PubChem CID 168973718) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate
PubChem CID168973718
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Nametert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate
SMILESCOc1cc(Nc2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)ccn1
InChIInChI=1S/C18H20N4O3S/c1-18(2,3)25-17(23)22-16-21-13-6-5-11(9-14(13)26-16)20-12-7-8-19-15(10-12)24-4/h5-10H,1-4H3,(H,19,20)(H,21,22,23)
InChIKeyVLWRDMSVLQNGQX-UHFFFAOYSA-N
XLogP4.79
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

tert-butyl N-[6-[(2-fluoro-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate
CID 168973661
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
tert-butyl N-[6-(methylaminomethyl)-1,3-benzothiazol-2-yl]carbamate
CID 59588275
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 89063864
tert-butyl N-[6-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]carbamate
CID 140629224
tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
CID 57248483
tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
CID 23144577
tert-butyl N-[6-[(3-bromo-4-pyridinyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
CID 57412036
ethyl 2-(2-amino-1,3-benzothiazol-6-yl)propanoate;ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]propanoate
CID 157252224
tert-butyl N-(5-cyano-1,3-benzothiazol-2-yl)carbamate
CID 137332820
methyl 2-[2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-2-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 169151437
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate (CID 168973718) is tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate is COc1cc(Nc2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)ccn1.
What is the InChIKey of tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate?
The InChIKey is VLWRDMSVLQNGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-18(2,3)25-17(23)22-16-21-13-6-5-11(9-14(13)26-16)20-12-7-8-19-15(10-12)24-4/h5-10H,1-4H3,(H,19,20)(H,21,22,23).
What are the key properties of tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate?
tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate has a molecular weight of 372.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(2-methoxy-4-pyridinyl)amino]-1,3-benzothiazol-2-yl]carbamate is sourced from PubChem (CID 168973718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).