N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide

C16H18N4OS — CID 166628761

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C16H18N4OS/c1-16(2,3)13-9-22-15(18-13)19-14(21)7-10-4-5-11-8-17-20-12(11)6-10/h4-6,8-9H,7H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyFVGQUVPMYZFRLU-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.50
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide (PubChem CID 166628761) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide
PubChem CID166628761
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C16H18N4OS/c1-16(2,3)13-9-22-15(18-13)19-14(21)7-10-4-5-11-8-17-20-12(11)6-10/h4-6,8-9H,7H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyFVGQUVPMYZFRLU-UHFFFAOYSA-N
XLogP3.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide (CID 166628761) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide is CC(C)(C)c1csc(NC(=O)Cc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide?
The InChIKey is FVGQUVPMYZFRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-16(2,3)13-9-22-15(18-13)19-14(21)7-10-4-5-11-8-17-20-12(11)6-10/h4-6,8-9H,7H2,1-3H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 166628761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).