(Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine

C20H21N3OS2 — CID 7974603

IUPAC(Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
SMILESCc1ccsc1/C=N\n1c(-c2ccccc2)cs/c1=N\C[C@@H]1CCCO1
InChIInChI=1S/C20H21N3OS2/c1-15-9-11-25-19(15)13-22-23-18(16-6-3-2-4-7-16)14-26-20(23)21-12-17-8-5-10-24-17/h2-4,6-7,9,11,13-14,17H,5,8,10,12H2,1H3/b21-20-,22-13-/t17-/m0/s1
InChIKeyITFNQZGEXDCZCB-CWJHMJFJSA-N
MW383.54 g/mol
LogP4.55
Rot. Bonds5

About (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine

(Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine (PubChem CID 7974603) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
PubChem CID7974603
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name(Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
SMILESCc1ccsc1/C=N\n1c(-c2ccccc2)cs/c1=N\C[C@@H]1CCCO1
InChIInChI=1S/C20H21N3OS2/c1-15-9-11-25-19(15)13-22-23-18(16-6-3-2-4-7-16)14-26-20(23)21-12-17-8-5-10-24-17/h2-4,6-7,9,11,13-14,17H,5,8,10,12H2,1H3/b21-20-,22-13-/t17-/m0/s1
InChIKeyITFNQZGEXDCZCB-CWJHMJFJSA-N
XLogP4.55
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(2-fluorophenyl)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7974688
N-(oxolan-2-ylmethyl)-3-[(4-phenylphenyl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 5021468
4-(4-bromophenyl)-3-[(4-methylphenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 5126572
(Z)-4-(2-fluorophenyl)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7974672
4-(4-bromophenyl)-3-[(4-ethylphenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 4016060
4-(4-chlorophenyl)-3-[(4-fluorophenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 5218409
(Z)-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 6599706
(Z)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-2-ylmethylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 7974519
4-[(Z)-[4-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 7974775
4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 3480787
(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 8825792
3-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 4969244

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine (CID 7974603) is (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine is Cc1ccsc1/C=N\n1c(-c2ccccc2)cs/c1=N\C[C@@H]1CCCO1.
What is the InChIKey of (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is ITFNQZGEXDCZCB-CWJHMJFJSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-15-9-11-25-19(15)13-22-23-18(16-6-3-2-4-7-16)14-26-20(23)21-12-17-8-5-10-24-17/h2-4,6-7,9,11,13-14,17H,5,8,10,12H2,1H3/b21-20-,22-13-/t17-/m0/s1.
What are the key properties of (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine?
(Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 383.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 7974603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).