N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide

C14H17ClN2OS — CID 35569941

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C14H17ClN2OS/c1-4-9(5-2)13(18)17-14-16-12-8(3)10(15)6-7-11(12)19-14/h6-7,9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQEMGPRMPLVMKKF-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.63
Rot. Bonds4

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide (PubChem CID 35569941) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
PubChem CID35569941
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C14H17ClN2OS/c1-4-9(5-2)13(18)17-14-16-12-8(3)10(15)6-7-11(12)19-14/h6-7,9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQEMGPRMPLVMKKF-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080808
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988809
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082441
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989097
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide (CID 35569941) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1nc2c(C)c(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide?
The InChIKey is QEMGPRMPLVMKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-4-9(5-2)13(18)17-14-16-12-8(3)10(15)6-7-11(12)19-14/h6-7,9H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide has a molecular weight of 296.82 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 35569941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).