methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine

C18H20N2O3S2 — CID 3033673

IUPACmethanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)O.c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H16N2S.CH4O3S/c1-3-7-14(8-4-1)11-12-18-17-19-16(13-20-17)15-9-5-2-6-10-15;1-5(2,3)4/h1-10,13H,11-12H2,(H,18,19);1H3,(H,2,3,4)
InChIKeyFHXKFCNUYSGNFV-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.97
Rot. Bonds5

About methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine

methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 3033673) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Namemethanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID3033673
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Namemethanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)O.c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H16N2S.CH4O3S/c1-3-7-14(8-4-1)11-12-18-17-19-16(13-20-17)15-9-5-2-6-10-15;1-5(2,3)4/h1-10,13H,11-12H2,(H,18,19);1H3,(H,2,3,4)
InChIKeyFHXKFCNUYSGNFV-UHFFFAOYSA-N
XLogP3.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
Thiourea, N-(4-methyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001105
Thiourea, N-(4-ethyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001106
Thiourea, N-(2-phenylethyl)-N'-(4-propyl-2-thiazolyl)-
CID 3001107
Thiourea, N-(4-(1-methylethyl)-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001108
N-[5-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)pentyl]ethanesulfonamide
CID 22253974
N-[[trans-4-[(4,5-Dihydro[1]benzothiepino[5,4-d]thiazol-2-yl)amino]cyclohexyl]methyl]methanesulfonamide
CID 22254068
1-(Methylsulfonyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine
CID 618556
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
N-methyl-4-phenylthiazol-2-amine
CID 824443
1-(4-Butylthiazol-2-yl)-3-phenethyl-thiourea
CID 3001109

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 3033673) is methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine is CS(=O)(=O)O.c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is FHXKFCNUYSGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S.CH4O3S/c1-3-7-14(8-4-1)11-12-18-17-19-16(13-20-17)15-9-5-2-6-10-15;1-5(2,3)4/h1-10,13H,11-12H2,(H,18,19);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 376.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3033673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).