(1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

C22H23N5O3S — CID 89469844

IUPAC(1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCCn1nnc2cc(COC(=O)Nc3sc(-c4ccc(C)cc4OC)nc3C)ccc21
InChIInChI=1S/C22H23N5O3S/c1-5-27-18-9-7-15(11-17(18)25-26-27)12-30-22(28)24-20-14(3)23-21(31-20)16-8-6-13(2)10-19(16)29-4/h6-11H,5,12H2,1-4H3,(H,24,28)
InChIKeyYGTFHPGDGKMDQJ-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.95
Rot. Bonds6

About (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

(1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469844) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469844
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name(1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCCn1nnc2cc(COC(=O)Nc3sc(-c4ccc(C)cc4OC)nc3C)ccc21
InChIInChI=1S/C22H23N5O3S/c1-5-27-18-9-7-15(11-17(18)25-26-27)12-30-22(28)24-20-14(3)23-21(31-20)16-8-6-13(2)10-19(16)29-4/h6-11H,5,12H2,1-4H3,(H,24,28)
InChIKeyYGTFHPGDGKMDQJ-UHFFFAOYSA-N
XLogP4.95
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469844) is (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is CCn1nnc2cc(COC(=O)Nc3sc(-c4ccc(C)cc4OC)nc3C)ccc21.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is YGTFHPGDGKMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-5-27-18-9-7-15(11-17(18)25-26-27)12-30-22(28)24-20-14(3)23-21(31-20)16-8-6-13(2)10-19(16)29-4/h6-11H,5,12H2,1-4H3,(H,24,28).
What are the key properties of (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 437.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)methyl N-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).