N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine

C19H16N4S2 — CID 58706589

IUPACN-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cnc(Cc4cccs4)s3)n2)c1
InChIInChI=1S/C19H16N4S2/c1-13-7-8-20-18(10-13)23-17-6-2-5-15(22-17)16-12-21-19(25-16)11-14-4-3-9-24-14/h2-10,12H,11H2,1H3,(H,20,22,23)
InChIKeyWHPFXCWBSSZIFU-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.30
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine

N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 58706589) has the molecular formula C19H16N4S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
PubChem CID58706589
Molecular FormulaC19H16N4S2
Molecular Weight364.50 g/mol
Exact Mass364.08
IUPAC NameN-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cnc(Cc4cccs4)s3)n2)c1
InChIInChI=1S/C19H16N4S2/c1-13-7-8-20-18(10-13)23-17-6-2-5-15(22-17)16-12-21-19(25-16)11-14-4-3-9-24-14/h2-10,12H,11H2,1H3,(H,20,22,23)
InChIKeyWHPFXCWBSSZIFU-UHFFFAOYSA-N
XLogP5.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 58706589) is N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3cnc(Cc4cccs4)s3)n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is WHPFXCWBSSZIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S2/c1-13-7-8-20-18(10-13)23-17-6-2-5-15(22-17)16-12-21-19(25-16)11-14-4-3-9-24-14/h2-10,12H,11H2,1H3,(H,20,22,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine?
N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 364.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 58706589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).