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

C18H14N4S2 — CID 46182714

IUPACN-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)c1
InChIInChI=1S/C18H14N4S2/c1-12-7-9-20-17(10-12)22-18-21-14(11-23-18)16-6-5-15(24-16)13-4-2-3-8-19-13/h2-11H,1H3,(H,20,21,22)
InChIKeyXNUBYHLCQNGPAG-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.38
Rot. Bonds4

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

N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 46182714) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID46182714
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)c1
InChIInChI=1S/C18H14N4S2/c1-12-7-9-20-17(10-12)22-18-21-14(11-23-18)16-6-5-15(24-16)13-4-2-3-8-19-13/h2-11H,1H3,(H,20,21,22)
InChIKeyXNUBYHLCQNGPAG-UHFFFAOYSA-N
XLogP5.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.38
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)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine (CID 46182714) is N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is XNUBYHLCQNGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-12-7-9-20-17(10-12)22-18-21-14(11-23-18)16-6-5-15(24-16)13-4-2-3-8-19-13/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine?
N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 350.47 g/mol, XLogP of 5.38, 4 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)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46182714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).