4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide

C12H9N5OS — CID 63377505

IUPAC4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)Nc2nncs2)nc2ccccc12
InChIInChI=1S/C12H9N5OS/c13-8-5-10(11(18)16-12-17-14-6-19-12)15-9-4-2-1-3-7(8)9/h1-6H,(H2,13,15)(H,16,17,18)
InChIKeyBDDSEXHQHOOZPX-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.92
Rot. Bonds2

About 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide

4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (PubChem CID 63377505) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
PubChem CID63377505
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)Nc2nncs2)nc2ccccc12
InChIInChI=1S/C12H9N5OS/c13-8-5-10(11(18)16-12-17-14-6-19-12)15-9-4-2-1-3-7(8)9/h1-6H,(H2,13,15)(H,16,17,18)
InChIKeyBDDSEXHQHOOZPX-UHFFFAOYSA-N
XLogP1.92
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-(1,3,4-thiadiazol-2-yl)isoquinoline-3-carboxamide
CID 62151425
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
CID 115751996
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 107585398
4-amino-N-cyclopentyloxyquinoline-2-carboxamide
CID 83216868
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (CID 63377505) is 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is Nc1cc(C(=O)Nc2nncs2)nc2ccccc12.
What is the InChIKey of 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is BDDSEXHQHOOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-8-5-10(11(18)16-12-17-14-6-19-12)15-9-4-2-1-3-7(8)9/h1-6H,(H2,13,15)(H,16,17,18).
What are the key properties of 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 63377505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).