2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

C17H22N2O2S — CID 56592918

IUPAC2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCCCCC1CC1C(=O)Nc1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C17H22N2O2S/c1-4-5-6-11-9-12(11)16(20)19-17-18-14-13(21-3)8-7-10(2)15(14)22-17/h7-8,11-12H,4-6,9H2,1-3H3,(H,18,19,20)
InChIKeyRNFKXCYRWMQFHH-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.38
Rot. Bonds6

About 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 56592918) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID56592918
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCCCCC1CC1C(=O)Nc1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C17H22N2O2S/c1-4-5-6-11-9-12(11)16(20)19-17-18-14-13(21-3)8-7-10(2)15(14)22-17/h7-8,11-12H,4-6,9H2,1-3H3,(H,18,19,20)
InChIKeyRNFKXCYRWMQFHH-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (CID 56592918) is 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is CCCCC1CC1C(=O)Nc1nc2c(OC)ccc(C)c2s1.
What is the InChIKey of 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RNFKXCYRWMQFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-5-6-11-9-12(11)16(20)19-17-18-14-13(21-3)8-7-10(2)15(14)22-17/h7-8,11-12H,4-6,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56592918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).