N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

C20H22N2OS — CID 23775568

IUPACN-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C20H22N2OS/c1-4-23-19-8-6-5-7-17(19)21-20-22-18(13-24-20)16-11-9-15(10-12-16)14(2)3/h5-14H,4H2,1-3H3,(H,21,22)
InChIKeyDVDAROXVISHXQL-UHFFFAOYSA-N
MW338.48 g/mol
LogP6.08
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 23775568) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
PubChem CID23775568
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C20H22N2OS/c1-4-23-19-8-6-5-7-17(19)21-20-22-18(13-24-20)16-11-9-15(10-12-16)14(2)3/h5-14H,4H2,1-3H3,(H,21,22)
InChIKeyDVDAROXVISHXQL-UHFFFAOYSA-N
XLogP6.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
3,4,5-triethoxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3308749
(2R)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2460022
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 4607845
N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 1041641
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine
CID 71472387

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (CID 23775568) is N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is CCOc1ccccc1Nc1nc(-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DVDAROXVISHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-4-23-19-8-6-5-7-17(19)21-20-22-18(13-24-20)16-11-9-15(10-12-16)14(2)3/h5-14H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 338.48 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).