(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C18H18N2O3S2 — CID 55570949

IUPAC(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(COC(=O)c2csc(-c3ccc(OC)cc3)n2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-3-4-16-19-13(10-24-16)9-23-18(21)15-11-25-17(20-15)12-5-7-14(22-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyZSIWZDWSRFWFHR-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.58
Rot. Bonds7

About (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 55570949) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID55570949
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(COC(=O)c2csc(-c3ccc(OC)cc3)n2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-3-4-16-19-13(10-24-16)9-23-18(21)15-11-25-17(20-15)12-5-7-14(22-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyZSIWZDWSRFWFHR-UHFFFAOYSA-N
XLogP4.58
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(2-propyl-1,3-thiazol-4-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 55570096
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135775
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
3-cyanopropyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 43056496
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136069
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135231

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 55570949) is (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is CCCc1nc(COC(=O)c2csc(-c3ccc(OC)cc3)n2)cs1.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZSIWZDWSRFWFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-3-4-16-19-13(10-24-16)9-23-18(21)15-11-25-17(20-15)12-5-7-14(22-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55570949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).