2-pyridin-3-yl-1,3-thiazole-5-carboximidamide

C9H8N4S — CID 82422642

IUPAC2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C9H8N4S/c10-8(11)7-5-13-9(14-7)6-2-1-3-12-4-6/h1-5H,(H3,10,11)
InChIKeyMVTXCEYJBJOIPF-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.49
Rot. Bonds2

About 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide

2-pyridin-3-yl-1,3-thiazole-5-carboximidamide (PubChem CID 82422642) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
PubChem CID82422642
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C9H8N4S/c10-8(11)7-5-13-9(14-7)6-2-1-3-12-4-6/h1-5H,(H3,10,11)
InChIKeyMVTXCEYJBJOIPF-UHFFFAOYSA-N
XLogP1.49
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-3-yl-1-benzothiophene-2-carboximidamide
CID 15230355
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218
5-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboximidamide
CID 142785508
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
4-[3-oxo-3-(2-phenyl-1,3-thiazol-5-yl)propyl]benzenecarboximidamide
CID 58192567
(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 167982530
N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 58236291
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide (CID 82422642) is 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1cnc(-c2cccnc2)s1.
What is the InChIKey of 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide?
The InChIKey is MVTXCEYJBJOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c10-8(11)7-5-13-9(14-7)6-2-1-3-12-4-6/h1-5H,(H3,10,11).
What are the key properties of 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide?
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide has a molecular weight of 204.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82422642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).