4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine

C20H23N5OS — CID 46948037

IUPAC4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2cc(Oc3ccccc3)ncn2)n1)C1CCCCC1
InChIInChI=1S/C20H23N5OS/c21-19(14-7-3-1-4-8-14)16-12-27-20(24-16)25-17-11-18(23-13-22-17)26-15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8,21H2,(H,22,23,24,25)
InChIKeyZEXONWXIDYOOAA-UHFFFAOYSA-N
MW381.51 g/mol
LogP5.05
Rot. Bonds6

About 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine

4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 46948037) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID46948037
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2cc(Oc3ccccc3)ncn2)n1)C1CCCCC1
InChIInChI=1S/C20H23N5OS/c21-19(14-7-3-1-4-8-14)16-12-27-20(24-16)25-17-11-18(23-13-22-17)26-15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8,21H2,(H,22,23,24,25)
InChIKeyZEXONWXIDYOOAA-UHFFFAOYSA-N
XLogP5.05
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.51
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 49789957
CID 49789957
CID 118733468
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CID 46943514
CID 46943514
CID 46943535
CID 46943535
CID 46943742
CID 46943742
CID 46948292
CID 46948292
CID 49786402
CID 49786402
CID 49789502
CID 49789502
CID 49790615
CID 49790615
CID 49790983
CID 49790983
CID 49791485
CID 49791485
CID 49792837
CID 49792837

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine (CID 46948037) is 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine is NC(c1csc(Nc2cc(Oc3ccccc3)ncn2)n1)C1CCCCC1.
What is the InChIKey of 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is ZEXONWXIDYOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c21-19(14-7-3-1-4-8-14)16-12-27-20(24-16)25-17-11-18(23-13-22-17)26-15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8,21H2,(H,22,23,24,25).
What are the key properties of 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine?
4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 381.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclohexyl)methyl]-N-(6-phenoxypyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46948037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).