2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide

C12H15N3OS — CID 79142506

IUPAC2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide
SMILESCc1ccc2nc(NC(C)(C)C(N)=O)sc2c1
InChIInChI=1S/C12H15N3OS/c1-7-4-5-8-9(6-7)17-11(14-8)15-12(2,3)10(13)16/h4-6H,1-3H3,(H2,13,16)(H,14,15)
InChIKeyKOGODGGCJJFQSM-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide

2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide (PubChem CID 79142506) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide
PubChem CID79142506
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide
SMILESCc1ccc2nc(NC(C)(C)C(N)=O)sc2c1
InChIInChI=1S/C12H15N3OS/c1-7-4-5-8-9(6-7)17-11(14-8)15-12(2,3)10(13)16/h4-6H,1-3H3,(H2,13,16)(H,14,15)
InChIKeyKOGODGGCJJFQSM-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
CID 72689787
2-(aminomethyl)-4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide
CID 107470948
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 114142761
2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
CID 115544304
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide?
The IUPAC name of 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide (CID 79142506) is 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide?
The canonical SMILES for 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide is Cc1ccc2nc(NC(C)(C)C(N)=O)sc2c1.
What is the InChIKey of 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide?
The InChIKey is KOGODGGCJJFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-4-5-8-9(6-7)17-11(14-8)15-12(2,3)10(13)16/h4-6H,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide?
2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide has a molecular weight of 249.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide is sourced from PubChem (CID 79142506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).