N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

C18H13N5O2S — CID 155135077

IUPACN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2nc3cnccc3s2)ccc1N
InChIInChI=1S/C18H13N5O2S/c19-13-2-1-11(7-12(13)16(20)10-4-6-25-9-10)22-17(24)18-23-14-8-21-5-3-15(14)26-18/h1-9,20H,19H2,(H,22,24)/b20-16+
InChIKeyHXEXSYUJHTULBJ-CAPFRKAQSA-N
MW363.40 g/mol
LogP3.53
Rot. Bonds4

About N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 155135077) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
PubChem CID155135077
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2nc3cnccc3s2)ccc1N
InChIInChI=1S/C18H13N5O2S/c19-13-2-1-11(7-12(13)16(20)10-4-6-25-9-10)22-17(24)18-23-14-8-21-5-3-15(14)26-18/h1-9,20H,19H2,(H,22,24)/b20-16+
InChIKeyHXEXSYUJHTULBJ-CAPFRKAQSA-N
XLogP3.53
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-ethynyl-1,2-thiazole-3-carboxamide
CID 155574901
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
CID 155482453
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
CID 155698826
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 155134676
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 155482677
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-4-cyano-1,3-dimethylpyrrole-2-carboxamide
CID 155575010
3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 167698553

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 155135077) is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is [H]/N=C(\c1ccoc1)c1cc(NC(=O)c2nc3cnccc3s2)ccc1N.
What is the InChIKey of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is HXEXSYUJHTULBJ-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H13N5O2S/c19-13-2-1-11(7-12(13)16(20)10-4-6-25-9-10)22-17(24)18-23-14-8-21-5-3-15(14)26-18/h1-9,20H,19H2,(H,22,24)/b20-16+.
What are the key properties of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 155135077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).