3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C15H21N3OS — CID 60851102

IUPAC3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCNC(C)(C)C)sc2c1
InChIInChI=1S/C15H21N3OS/c1-10-5-6-11-12(9-10)20-14(17-11)18-13(19)7-8-16-15(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18,19)
InChIKeyVGTWSAHXIQPDQU-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.32
Rot. Bonds4

About 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 60851102) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID60851102
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCNC(C)(C)C)sc2c1
InChIInChI=1S/C15H21N3OS/c1-10-5-6-11-12(9-10)20-14(17-11)18-13(19)7-8-16-15(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18,19)
InChIKeyVGTWSAHXIQPDQU-UHFFFAOYSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 42987641
N-(2-hydroxyethyl)-N'-(6-methyl-1,3-benzothiazol-2-yl)butanediamide
CID 2067233
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
2-(tert-butylamino)-N-methyl-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 158201595
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
N-(6-methyl-1,3-benzothiazol-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4782747
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126299
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18126296
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 60851102) is 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1ccc2nc(NC(=O)CCNC(C)(C)C)sc2c1.
What is the InChIKey of 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is VGTWSAHXIQPDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-5-6-11-12(9-10)20-14(17-11)18-13(19)7-8-16-15(2,3)4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18,19).
What are the key properties of 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 291.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 60851102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).