N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C19H16N4OS2 — CID 44522328

IUPACN-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCOc1cccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1
InChIInChI=1S/C19H16N4OS2/c1-24-15-4-2-3-13(9-15)10-21-19-22-11-16(14-5-7-25-12-14)17(23-19)18-20-6-8-26-18/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyDOROYULPWYXZSN-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.95
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522328) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522328
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCOc1cccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1
InChIInChI=1S/C19H16N4OS2/c1-24-15-4-2-3-13(9-15)10-21-19-22-11-16(14-5-7-25-12-14)17(23-19)18-20-6-8-26-18/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyDOROYULPWYXZSN-UHFFFAOYSA-N
XLogP4.95
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522328) is N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is COc1cccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is DOROYULPWYXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-24-15-4-2-3-13(9-15)10-21-19-22-11-16(14-5-7-25-12-14)17(23-19)18-20-6-8-26-18/h2-9,11-12H,10H2,1H3,(H,21,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 380.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).