3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide

C14H14N4OS — CID 27161964

IUPAC3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCc2nc3ccccc3s2)n1
InChIInChI=1S/C14H14N4OS/c1-18-9-8-12(17-18)16-13(19)6-7-14-15-10-4-2-3-5-11(10)20-14/h2-5,8-9H,6-7H2,1H3,(H,16,17,19)
InChIKeyGQZFUNOJJXCBLC-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 27161964) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID27161964
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCc2nc3ccccc3s2)n1
InChIInChI=1S/C14H14N4OS/c1-18-9-8-12(17-18)16-13(19)6-7-14-15-10-4-2-3-5-11(10)20-14/h2-5,8-9H,6-7H2,1H3,(H,16,17,19)
InChIKeyGQZFUNOJJXCBLC-UHFFFAOYSA-N
XLogP2.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
(E)-3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 9247902
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
3-(1,3-benzothiazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110902223
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
3-(1,3-benzothiazol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 43004526
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149
3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 17493962
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide (CID 27161964) is 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CCc2nc3ccccc3s2)n1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is GQZFUNOJJXCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-18-9-8-12(17-18)16-13(19)6-7-14-15-10-4-2-3-5-11(10)20-14/h2-5,8-9H,6-7H2,1H3,(H,16,17,19).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 286.36 g/mol, XLogP of 2.60, 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-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 27161964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).