[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol

C18H14ClN5OS — CID 90320728

IUPAC[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol
SMILESNc1nccc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)n1
InChIInChI=1S/C18H14ClN5OS/c19-11-3-1-10(2-4-11)15(25)12-9-14(13-5-6-23-18(20)24-13)26-16(12)17-21-7-8-22-17/h1-9,15,25H,(H,21,22)(H2,20,23,24)
InChIKeyRDLYVNXLYXBPTG-UHFFFAOYSA-N
MW383.86 g/mol
LogP3.91
Rot. Bonds4

About [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol

[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol (PubChem CID 90320728) has the molecular formula C18H14ClN5OS and a molecular weight of 383.86 g/mol. Its IUPAC name is [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol
PubChem CID90320728
Molecular FormulaC18H14ClN5OS
Molecular Weight383.86 g/mol
Exact Mass383.06
IUPAC Name[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol
SMILESNc1nccc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)n1
InChIInChI=1S/C18H14ClN5OS/c19-11-3-1-10(2-4-11)15(25)12-9-14(13-5-6-23-18(20)24-13)26-16(12)17-21-7-8-22-17/h1-9,15,25H,(H,21,22)(H2,20,23,24)
InChIKeyRDLYVNXLYXBPTG-UHFFFAOYSA-N
XLogP3.91
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol?
The IUPAC name of [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol (CID 90320728) is [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol?
The canonical SMILES for [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol is Nc1nccc(-c2cc(C(O)c3ccc(Cl)cc3)c(-c3ncc[nH]3)s2)n1.
What is the InChIKey of [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol?
The InChIKey is RDLYVNXLYXBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS/c19-11-3-1-10(2-4-11)15(25)12-9-14(13-5-6-23-18(20)24-13)26-16(12)17-21-7-8-22-17/h1-9,15,25H,(H,21,22)(H2,20,23,24).
What are the key properties of [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol?
[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol has a molecular weight of 383.86 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 90320728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).