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

C20H19N5O2S — CID 89469843

IUPAC(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCc1ccccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nnn3C)s1
InChIInChI=1S/C20H19N5O2S/c1-12-6-4-5-7-15(12)19-21-13(2)18(28-19)22-20(26)27-11-14-8-9-17-16(10-14)23-24-25(17)3/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyNMWPREUKGYYZAC-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.46
Rot. Bonds4

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

(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 89469843) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID89469843
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCc1ccccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nnn3C)s1
InChIInChI=1S/C20H19N5O2S/c1-12-6-4-5-7-15(12)19-21-13(2)18(28-19)22-20(26)27-11-14-8-9-17-16(10-14)23-24-25(17)3/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyNMWPREUKGYYZAC-UHFFFAOYSA-N
XLogP4.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate (CID 89469843) is (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate is Cc1ccccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nnn3C)s1.
What is the InChIKey of (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is NMWPREUKGYYZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12-6-4-5-7-15(12)19-21-13(2)18(28-19)22-20(26)27-11-14-8-9-17-16(10-14)23-24-25(17)3/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 393.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).