N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C21H15N5O2S2 — CID 112807476

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C21H15N5O2S2/c27-18(7-9-26-12-23-20-14(21(26)28)8-10-29-20)25-17-6-5-13(11-22-17)19-24-15-3-1-2-4-16(15)30-19/h1-6,8,10-12H,7,9H2,(H,22,25,27)
InChIKeyHOBYKNHYSHEQAK-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.16
Rot. Bonds5

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 112807476) has the molecular formula C21H15N5O2S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID112807476
Molecular FormulaC21H15N5O2S2
Molecular Weight433.52 g/mol
Exact Mass433.07
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cn1
InChIInChI=1S/C21H15N5O2S2/c27-18(7-9-26-12-23-20-14(21(26)28)8-10-29-20)25-17-6-5-13(11-22-17)19-24-15-3-1-2-4-16(15)30-19/h1-6,8,10-12H,7,9H2,(H,22,25,27)
InChIKeyHOBYKNHYSHEQAK-UHFFFAOYSA-N
XLogP4.16
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 112802580
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N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
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3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
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N-(3-methoxy-1-methylpyrazol-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 154781264
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78859797
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3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 112807476) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cn1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is HOBYKNHYSHEQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S2/c27-18(7-9-26-12-23-20-14(21(26)28)8-10-29-20)25-17-6-5-13(11-22-17)19-24-15-3-1-2-4-16(15)30-19/h1-6,8,10-12H,7,9H2,(H,22,25,27).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 433.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 112807476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).