4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine

C20H20N2OS — CID 133474166

IUPAC4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-3-7-15(8-4-1)18-14-24-20(22-18)21-17-11-12-23-19(13-17)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2,(H,21,22)
InChIKeySPSBREMNDBLWCT-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.14
Rot. Bonds4

About 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine

4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 133474166) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
PubChem CID133474166
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-3-7-15(8-4-1)18-14-24-20(22-18)21-17-11-12-23-19(13-17)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2,(H,21,22)
InChIKeySPSBREMNDBLWCT-UHFFFAOYSA-N
XLogP5.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-(2-phenyloxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 133474148
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071
N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 154845848
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
CID 133475832
N-cyclopropyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62941085
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474099
1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
CID 71921220
N-cyclopropyl-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 62956991
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133388009
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine (CID 133474166) is 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine is c1ccc(-c2csc(NC3CCOC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is SPSBREMNDBLWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-7-15(8-4-1)18-14-24-20(22-18)21-17-11-12-23-19(13-17)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2,(H,21,22).
What are the key properties of 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine?
4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 336.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133474166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).