N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide

C18H20N4O3S — CID 75531803

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2NC(=O)c3ccccc3NC2=O)n1
InChIInChI=1S/C18H20N4O3S/c1-18(2,3)13-9-26-17(21-13)22-14(23)8-12-16(25)19-11-7-5-4-6-10(11)15(24)20-12/h4-7,9,12H,8H2,1-3H3,(H,19,25)(H,20,24)(H,21,22,23)
InChIKeyQCYASYXEOKYAHW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.52
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide (PubChem CID 75531803) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
PubChem CID75531803
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2NC(=O)c3ccccc3NC2=O)n1
InChIInChI=1S/C18H20N4O3S/c1-18(2,3)13-9-26-17(21-13)22-14(23)8-12-16(25)19-11-7-5-4-6-10(11)15(24)20-12/h4-7,9,12H,8H2,1-3H3,(H,19,25)(H,20,24)(H,21,22,23)
InChIKeyQCYASYXEOKYAHW-UHFFFAOYSA-N
XLogP2.52
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide (CID 75531803) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide is CC(C)(C)c1csc(NC(=O)CC2NC(=O)c3ccccc3NC2=O)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
The InChIKey is QCYASYXEOKYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-18(2,3)13-9-26-17(21-13)22-14(23)8-12-16(25)19-11-7-5-4-6-10(11)15(24)20-12/h4-7,9,12H,8H2,1-3H3,(H,19,25)(H,20,24)(H,21,22,23).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide is sourced from PubChem (CID 75531803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).