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

C18H14N4S2 — CID 127045591

IUPAC4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(-c3ccsc3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C18H14N4S2/c1-11-16(15-6-8-20-18(19)22-15)24-17(21-11)13-4-2-12(3-5-13)14-7-9-23-10-14/h2-10H,1H3,(H2,19,20,22)
InChIKeyJXKMWDLMKYTHCN-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.89
Rot. Bonds3

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

4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127045591) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127045591
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(-c3ccsc3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C18H14N4S2/c1-11-16(15-6-8-20-18(19)22-15)24-17(21-11)13-4-2-12(3-5-13)14-7-9-23-10-14/h2-10H,1H3,(H2,19,20,22)
InChIKeyJXKMWDLMKYTHCN-UHFFFAOYSA-N
XLogP4.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127045591) is 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(-c3ccsc3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is JXKMWDLMKYTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-11-16(15-6-8-20-18(19)22-15)24-17(21-11)13-4-2-12(3-5-13)14-7-9-23-10-14/h2-10H,1H3,(H2,19,20,22).
What are the key properties of 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(4-thiophen-3-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127045591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).