3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C14H13N3OS2 — CID 2117317

IUPAC3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2nc3ccccc3s2)n1
InChIInChI=1S/C14H13N3OS2/c1-9-8-19-14(15-9)17-12(18)6-7-13-16-10-4-2-3-5-11(10)20-13/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyUCJDLVITHMQABW-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.63
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2117317) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID2117317
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2nc3ccccc3s2)n1
InChIInChI=1S/C14H13N3OS2/c1-9-8-19-14(15-9)17-12(18)6-7-13-16-10-4-2-3-5-11(10)20-13/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyUCJDLVITHMQABW-UHFFFAOYSA-N
XLogP3.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methabenzthiazuron
CID 29216
Benzthiazuron
CID 16007
S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (Z)-
CID 5702580
Anilinobenzothiazole
CID 230981
Bentaluron
CID 4408229
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
2-(Acetoacetamido)benzothiazole
CID 20820
N-2-Benzothiazolyl-N'-butylurea
CID 99178

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 2117317) is 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCc2nc3ccccc3s2)n1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is UCJDLVITHMQABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-9-8-19-14(15-9)17-12(18)6-7-13-16-10-4-2-3-5-11(10)20-13/h2-5,8H,6-7H2,1H3,(H,15,17,18).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2117317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).