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

C18H14N4OS — CID 127045590

IUPAC4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(-c3ccco3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C18H14N4OS/c1-11-16(14-8-9-20-18(19)22-14)24-17(21-11)13-6-4-12(5-7-13)15-3-2-10-23-15/h2-10H,1H3,(H2,19,20,22)
InChIKeyHLMRGYQLRHDBSH-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.42
Rot. Bonds3

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

4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127045590) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127045590
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(-c3ccco3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C18H14N4OS/c1-11-16(14-8-9-20-18(19)22-14)24-17(21-11)13-6-4-12(5-7-13)15-3-2-10-23-15/h2-10H,1H3,(H2,19,20,22)
InChIKeyHLMRGYQLRHDBSH-UHFFFAOYSA-N
XLogP4.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127045590) is 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(-c3ccco3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is HLMRGYQLRHDBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-16(14-8-9-20-18(19)22-14)24-17(21-11)13-6-4-12(5-7-13)15-3-2-10-23-15/h2-10H,1H3,(H2,19,20,22).
What are the key properties of 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 334.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127045590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).