[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine

C9H7Cl2N3S — CID 79779918

IUPAC[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ncc(Cl)cc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S/c10-5-1-7(11)8(13-3-5)9-14-4-6(2-12)15-9/h1,3-4H,2,12H2
InChIKeySNDNJGZATQRSKY-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.97
Rot. Bonds2

About [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine

[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 79779918) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
PubChem CID79779918
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ncc(Cl)cc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S/c10-5-1-7(11)8(13-3-5)9-14-4-6(2-12)15-9/h1,3-4H,2,12H2
InChIKeySNDNJGZATQRSKY-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine (CID 79779918) is [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ncc(Cl)cc2Cl)s1.
What is the InChIKey of [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SNDNJGZATQRSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-5-1-7(11)8(13-3-5)9-14-4-6(2-12)15-9/h1,3-4H,2,12H2.
What are the key properties of [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine?
[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 260.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79779918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).