N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide

C19H21N3O3S — CID 177139270

IUPACN-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2c(OC(C)C)ccc3nc(C)sc23)cn1
InChIInChI=1S/C19H21N3O3S/c1-10(2)25-15-7-6-13-18(26-12(4)21-13)17(15)19(23)22-14-9-20-16(24-5)8-11(14)3/h6-10H,1-5H3,(H,22,23)
InChIKeyLJQMGSOFGMQNTL-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.36
Rot. Bonds5

About N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide

N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide (PubChem CID 177139270) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide
PubChem CID177139270
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2c(OC(C)C)ccc3nc(C)sc23)cn1
InChIInChI=1S/C19H21N3O3S/c1-10(2)25-15-7-6-13-18(26-12(4)21-13)17(15)19(23)22-14-9-20-16(24-5)8-11(14)3/h6-10H,1-5H3,(H,22,23)
InChIKeyLJQMGSOFGMQNTL-UHFFFAOYSA-N
XLogP4.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide (CID 177139270) is N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide is COc1cc(C)c(NC(=O)c2c(OC(C)C)ccc3nc(C)sc23)cn1.
What is the InChIKey of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide?
The InChIKey is LJQMGSOFGMQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-10(2)25-15-7-6-13-18(26-12(4)21-13)17(15)19(23)22-14-9-20-16(24-5)8-11(14)3/h6-10H,1-5H3,(H,22,23).
What are the key properties of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide?
N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 177139270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).