4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

C15H13ClN4OS — CID 2744272

IUPAC4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1
InChIInChI=1S/C15H13ClN4OS/c1-9-14(11-6-7-18-15(17)20-11)22-13(19-9)8-21-12-5-3-2-4-10(12)16/h2-7H,8H2,1H3,(H2,17,18,20)
InChIKeySVUIYNKSDCANAY-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.72
Rot. Bonds4

About 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 2744272) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID2744272
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1
InChIInChI=1S/C15H13ClN4OS/c1-9-14(11-6-7-18-15(17)20-11)22-13(19-9)8-21-12-5-3-2-4-10(12)16/h2-7H,8H2,1H3,(H2,17,18,20)
InChIKeySVUIYNKSDCANAY-UHFFFAOYSA-N
XLogP3.72
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 2744272) is 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is SVUIYNKSDCANAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9-14(11-6-7-18-15(17)20-11)22-13(19-9)8-21-12-5-3-2-4-10(12)16/h2-7H,8H2,1H3,(H2,17,18,20).
What are the key properties of 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 332.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 2744272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).