2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide

C12H13ClN2O2S — CID 133167344

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCOCC(C)NC(=O)c1ccc2nc(Cl)sc2c1
InChIInChI=1S/C12H13ClN2O2S/c1-7(6-17-2)14-11(16)8-3-4-9-10(5-8)18-12(13)15-9/h3-5,7H,6H2,1-2H3,(H,14,16)
InChIKeyKHGRNKAEZRIWPB-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide

2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 133167344) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID133167344
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCOCC(C)NC(=O)c1ccc2nc(Cl)sc2c1
InChIInChI=1S/C12H13ClN2O2S/c1-7(6-17-2)14-11(16)8-3-4-9-10(5-8)18-12(13)15-9/h3-5,7H,6H2,1-2H3,(H,14,16)
InChIKeyKHGRNKAEZRIWPB-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
(E)-3-[2-chloro-4-(1-methoxypropan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 81308004
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349221
N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847603
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016
2-chloro-N-[(1-propan-2-ylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 100788064
2-chloro-1,3-benzothiazole-6-carboxylic acid;hydrochloride
CID 70181795
2-chloro-N-(2-methoxyethyl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 100788132
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide (CID 133167344) is 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide is COCC(C)NC(=O)c1ccc2nc(Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is KHGRNKAEZRIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-7(6-17-2)14-11(16)8-3-4-9-10(5-8)18-12(13)15-9/h3-5,7H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide?
2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 284.77 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 133167344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).