N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C14H11IN4S — CID 86076382

IUPACN-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(-c3ccccn3)cs2)ncc1I
InChIInChI=1S/C14H11IN4S/c1-9-6-13(17-7-10(9)15)19-14-18-12(8-20-14)11-4-2-3-5-16-11/h2-8H,1H3,(H,17,18,19)
InChIKeyNNIBOABTGVAHNS-UHFFFAOYSA-N
MW394.24 g/mol
LogP4.26
Rot. Bonds3

About N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 86076382) has the molecular formula C14H11IN4S and a molecular weight of 394.24 g/mol. Its IUPAC name is N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID86076382
Molecular FormulaC14H11IN4S
Molecular Weight394.24 g/mol
Exact Mass393.97
IUPAC NameN-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(-c3ccccn3)cs2)ncc1I
InChIInChI=1S/C14H11IN4S/c1-9-6-13(17-7-10(9)15)19-14-18-12(8-20-14)11-4-2-3-5-16-11/h2-8H,1H3,(H,17,18,19)
InChIKeyNNIBOABTGVAHNS-UHFFFAOYSA-N
XLogP4.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777939
N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride
CID 87790767
N-(5-piperidin-1-yl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 175729939
N-(3-chloro-2-methylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 746698
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(4-methyl-2-pyridinyl)-4-(4-phenyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 163269079
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 82059224

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 86076382) is N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is Cc1cc(Nc2nc(-c3ccccn3)cs2)ncc1I.
What is the InChIKey of N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is NNIBOABTGVAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN4S/c1-9-6-13(17-7-10(9)15)19-14-18-12(8-20-14)11-4-2-3-5-16-11/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 394.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 86076382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).