3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C17H15N5OS — CID 166336252

IUPAC3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2ncc(NC(=O)CCc3nc4ccccc4s3)cn2n1
InChIInChI=1S/C17H15N5OS/c1-11-8-15-18-9-12(10-22(15)21-11)19-16(23)6-7-17-20-13-4-2-3-5-14(13)24-17/h2-5,8-10H,6-7H2,1H3,(H,19,23)
InChIKeySDIWICPUAZLXEP-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.22
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 166336252) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID166336252
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2ncc(NC(=O)CCc3nc4ccccc4s3)cn2n1
InChIInChI=1S/C17H15N5OS/c1-11-8-15-18-9-12(10-22(15)21-11)19-16(23)6-7-17-20-13-4-2-3-5-14(13)24-17/h2-5,8-10H,6-7H2,1H3,(H,19,23)
InChIKeySDIWICPUAZLXEP-UHFFFAOYSA-N
XLogP3.22
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 166336255
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149
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-(1-methylpyrazol-3-yl)propanamide
CID 27161964
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639
3-(1,3-benzothiazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110902223
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 166336252) is 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2ncc(NC(=O)CCc3nc4ccccc4s3)cn2n1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is SDIWICPUAZLXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-8-15-18-9-12(10-22(15)21-11)19-16(23)6-7-17-20-13-4-2-3-5-14(13)24-17/h2-5,8-10H,6-7H2,1H3,(H,19,23).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 337.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 166336252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).