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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Related Compounds

N-[6-methoxy-4-[2-(1,1,1-trifluorobut-3-en-2-yloxy)ethylcarbamoyl]-3-pyridinyl]-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide
CID 177139152
5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 177139414
2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid
CID 177139035
methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate
CID 177139361
1-methoxy-2,4-dimethylheptane;5-methoxy-2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoic acid
CID 177139329
N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-methoxyphenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;3,5-dimethyloxane
CID 177139420
1-methoxy-2,4-dimethylheptane;6-methoxy-2-methyl-N-[5-methyl-2-[4-(trifluoromethyl)pent-4-en-2-ylcarbamoyl]phenyl]-1,3-benzothiazole-7-carboxamide
CID 177139313
N-[2-[[(E)-3-[difluoro(phosphanyl)methyl]pent-3-enyl]carbamoyl]-4-methoxyphenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;1-methoxy-2,4,5-trimethylheptane
CID 177139315
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355169
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 120517845
N-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 71703668

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).