2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

C16H14N4O2S — CID 74763717

IUPAC2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3cc4ccccc4s3)CC2)nc1
InChIInChI=1S/C16H14N4O2S/c21-14(20-22)11-8-17-15(18-9-11)19-16(5-6-16)13-7-10-3-1-2-4-12(10)23-13/h1-4,7-9,22H,5-6H2,(H,20,21)(H,17,18,19)
InChIKeyZKSVMCALLBTCSV-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.91
Rot. Bonds4

About 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 74763717) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID74763717
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3cc4ccccc4s3)CC2)nc1
InChIInChI=1S/C16H14N4O2S/c21-14(20-22)11-8-17-15(18-9-11)19-16(5-6-16)13-7-10-3-1-2-4-12(10)23-13/h1-4,7-9,22H,5-6H2,(H,20,21)(H,17,18,19)
InChIKeyZKSVMCALLBTCSV-UHFFFAOYSA-N
XLogP2.91
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 74763717) is 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3cc4ccccc4s3)CC2)nc1.
What is the InChIKey of 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is ZKSVMCALLBTCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14(20-22)11-8-17-15(18-9-11)19-16(5-6-16)13-7-10-3-1-2-4-12(10)23-13/h1-4,7-9,22H,5-6H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 74763717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).