3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine

C18H11ClN2OS — CID 3431642

IUPAC3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H11ClN2OS/c19-13-7-5-11(6-8-13)15-10-23-18(21-15)14-9-12-3-1-2-4-16(12)22-17(14)20/h1-10,20H/b20-17-
InChIKeyRTXZHZMHLDGENQ-JZJYNLBNSA-N
MW338.82 g/mol
LogP5.36
Rot. Bonds2

About 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine (PubChem CID 3431642) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine
PubChem CID3431642
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H11ClN2OS/c19-13-7-5-11(6-8-13)15-10-23-18(21-15)14-9-12-3-1-2-4-16(12)22-17(14)20/h1-10,20H/b20-17-
InChIKeyRTXZHZMHLDGENQ-JZJYNLBNSA-N
XLogP5.36
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine (CID 3431642) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine is [H]/N=c1\oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine?
The InChIKey is RTXZHZMHLDGENQ-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-13-7-5-11(6-8-13)15-10-23-18(21-15)14-9-12-3-1-2-4-16(12)22-17(14)20/h1-10,20H/b20-17-.
What are the key properties of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine?
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine has a molecular weight of 338.82 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]chromen-2-imine is sourced from PubChem (CID 3431642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).