N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine

C19H15N3S — CID 972329

IUPACN-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C19H15N3S/c1-13-8-9-20-18(10-13)22-19-21-17(12-23-19)16-7-6-14-4-2-3-5-15(14)11-16/h2-12H,1H3,(H,20,21,22)
InChIKeyKLLQTFMUHGYUPM-UHFFFAOYSA-N
MW317.42 g/mol
LogP5.41
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine

N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 972329) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID972329
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC NameN-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1
InChIInChI=1S/C19H15N3S/c1-13-8-9-20-18(10-13)22-19-21-17(12-23-19)16-7-6-14-4-2-3-5-15(14)11-16/h2-12H,1H3,(H,20,21,22)
InChIKeyKLLQTFMUHGYUPM-UHFFFAOYSA-N
XLogP5.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 972329) is N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is KLLQTFMUHGYUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-13-8-9-20-18(10-13)22-19-21-17(12-23-19)16-7-6-14-4-2-3-5-15(14)11-16/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 317.42 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).