5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine

C16H15N3O2S2 — CID 173212534

IUPAC5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccnc(-c2cnc(Nc3cccc(S(C)(=O)=O)c3)s2)c1
InChIInChI=1S/C16H15N3O2S2/c1-11-6-7-17-14(8-11)15-10-18-16(22-15)19-12-4-3-5-13(9-12)23(2,20)21/h3-10H,1-2H3,(H,18,19)
InChIKeyMHAPIRJBBRVDNB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.66
Rot. Bonds4

About 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine

5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 173212534) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID173212534
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccnc(-c2cnc(Nc3cccc(S(C)(=O)=O)c3)s2)c1
InChIInChI=1S/C16H15N3O2S2/c1-11-6-7-17-14(8-11)15-10-18-16(22-15)19-12-4-3-5-13(9-12)23(2,20)21/h3-10H,1-2H3,(H,18,19)
InChIKeyMHAPIRJBBRVDNB-UHFFFAOYSA-N
XLogP3.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine (CID 173212534) is 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine is Cc1ccnc(-c2cnc(Nc3cccc(S(C)(=O)=O)c3)s2)c1.
What is the InChIKey of 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MHAPIRJBBRVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-6-7-17-14(8-11)15-10-18-16(22-15)19-12-4-3-5-13(9-12)23(2,20)21/h3-10H,1-2H3,(H,18,19).
What are the key properties of 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine?
5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 345.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyridinyl)-N-(3-methylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 173212534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).